
 CHEMBL261276

 74 78  0  0  0  0  0  0  0  0999 V2000
    1.6834    0.9633    1.2315 C   0  0  0  0  0
    2.4077    0.5193   -0.0298 C   0  0  0  0  0
    3.2905    1.6207   -0.5951 C   0  0  0  0  0
    4.7008    1.7565   -0.3720 C   0  0  0  0  0
    5.3170    2.9587   -0.8581 C   0  0  0  0  0
    4.5571    3.9237   -1.5601 C   0  0  0  0  0
    3.2050    3.7508   -1.7914 C   0  0  0  0  0
    2.5797    2.6128   -1.3113 C   0  0  0  0  0
    6.7908    3.3059   -0.7069 C   0  0  0  0  0
    7.6386    2.7093   -1.8177 C   0  0  0  0  0
    5.4951    0.7169    0.3628 C   0  0  0  0  0
    6.4094    1.1727    1.2398 N   0  0  0  0  0
    7.1387    0.2919    1.9699 C   0  0  0  0  0
    6.8751   -1.0711    1.9929 C   0  0  0  0  0
    7.6483   -1.9586    2.9465 C   0  0  0  0  0
    9.1320   -1.5998    2.7893 C   0  0  0  0  0
    9.4439   -0.1242    3.0390 C   0  0  0  0  0
    8.3252    0.8687    2.6899 C   0  0  0  0  0
    7.2350   -1.9436    4.3762 N   0  0  0  0  0
    7.2164   -3.2008    5.1323 C   0  0  0  0  0
    8.4857   -3.3820    5.9559 C   0  0  0  0  0
    6.6662   -0.8486    5.0266 C   0  0  0  0  0
    7.4872   -0.0735    5.8647 C   0  0  0  0  0
    7.0129    1.0664    6.5084 C   0  0  0  0  0
    5.6875    1.4439    6.3447 C   0  0  0  0  0
    4.8134    0.6671    5.5741 C   0  0  0  0  0
    3.4649    1.0403    5.4627 C   0  0  0  0  0
    2.5648    0.2581    4.7423 C   0  0  0  0  0
    3.0027   -0.9045    4.1216 C   0  0  0  0  0
    4.3461   -1.2743    4.2077 C   0  0  0  0  0
    5.2892   -0.5024    4.9213 C   0  0  0  0  0
    6.0009   -1.5566    1.0139 C   0  0  0  0  0
    5.3563   -0.6534    0.1588 C   0  0  0  0  0
    5.8585   -2.9190    0.9532 O   0  0  0  0  0
    5.2693   -3.5174   -0.2033 C   0  0  0  0  0
    6.2682   -3.6061   -1.3412 C   0  0  0  0  0
    1.0933    0.1337    1.6361 H   0  0  0  0  0
    0.9985    1.7931    1.0316 H   0  0  0  0  0
    2.3947    1.2896    1.9942 H   0  0  0  0  0
    1.6694    0.2309   -0.7908 H   0  0  0  0  0
    2.9404   -0.4038    0.1904 H   0  0  0  0  0
    5.0339    4.8294   -1.9278 H   0  0  0  0  0
    2.6374    4.5089   -2.3238 H   0  0  0  0  0
    1.5073    2.5079   -1.4723 H   0  0  0  0  0
    7.1878    3.0405    0.2716 H   0  0  0  0  0
    6.9058    4.3972   -0.7320 H   0  0  0  0  0
    8.6887    2.9773   -1.6724 H   0  0  0  0  0
    7.3270    3.0935   -2.7964 H   0  0  0  0  0
    7.5629    1.6176   -1.8434 H   0  0  0  0  0
    7.5595   -2.9971    2.5984 H   0  0  0  0  0
    9.7626   -2.2225    3.4260 H   0  0  0  0  0
    9.4325   -1.8344    1.7551 H   0  0  0  0  0
   10.3474    0.1366    2.4704 H   0  0  0  0  0
    9.7331    0.0165    4.0856 H   0  0  0  0  0
    8.7620    1.6519    2.0588 H   0  0  0  0  0
    7.9764    1.3843    3.5909 H   0  0  0  0  0
    7.1152   -4.0518    4.4515 H   0  0  0  0  0
    6.3491   -3.2459    5.8007 H   0  0  0  0  0
    9.3836   -3.3378    5.3328 H   0  0  0  0  0
    8.4746   -4.3538    6.4593 H   0  0  0  0  0
    8.5779   -2.6135    6.7303 H   0  0  0  0  0
    8.5301   -0.3473    5.9973 H   0  0  0  0  0
    7.6804    1.6619    7.1254 H   0  0  0  0  0
    5.3331    2.3461    6.8422 H   0  0  0  0  0
    3.1036    1.9477    5.9420 H   0  0  0  0  0
    1.5236    0.5627    4.6648 H   0  0  0  0  0
    2.3081   -1.5177    3.5585 H   0  0  0  0  0
    4.6635   -2.1877    3.7103 H   0  0  0  0  0
    4.7274   -0.9931   -0.6502 H   0  0  0  0  0
    4.3342   -3.0287   -0.4966 H   0  0  0  0  0
    4.9903   -4.5357    0.0892 H   0  0  0  0  0
    6.5875   -2.6135   -1.6769 H   0  0  0  0  0
    5.8370   -4.1369   -2.1964 H   0  0  0  0  0
    7.1713   -4.1367   -1.0193 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  2 40  1  0  0  0
  2 41  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  7  8  2  0  0  0
  7 43  1  0  0  0
  8 44  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
  9 46  1  0  0  0
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 11 12  2  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 13 18  1  0  0  0
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 14 32  1  0  0  0
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 15 19  1  0  0  0
 15 50  1  0  0  0
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 22 23  2  0  0  0
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 23 24  1  0  0  0
 23 62  1  0  0  0
 24 25  2  0  0  0
 24 63  1  0  0  0
 25 26  1  0  0  0
 25 64  1  0  0  0
 26 27  2  0  0  0
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 27 28  1  0  0  0
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 29 30  1  0  0  0
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 30 31  2  0  0  0
 30 68  1  0  0  0
 32 33  2  0  0  0
 32 34  1  0  0  0
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 34 35  1  0  0  0
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 36 72  1  0  0  0
 36 73  1  0  0  0
 36 74  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL261276

>  <PubChem CID>
25191765

>  <Formula>
C33H38N2O

>  <Molecular Weight>
478.680000

>  <IUPAC Name>
2-(2,6-diethylphenyl)-4-ethoxy-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine

>  <XlogP>
8.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)N(CC)C4=CC=CC5=CC=CC=C54)C(=C2)OCC

>  <Isomeric SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)N(CC)C4=CC=CC5=CC=CC=C54)C(=C2)OCC

>  <InChI Std. ID>
InChI=1S/C33H38N2O/c1-5-23-15-11-16-24(6-2)32(23)28-22-31(36-8-4)33-27(34-28)19-13-21-30(33)35(7-3)29-20-12-17-25-14-9-10-18-26(25)29/h9-12,14-18,20,22,30H,5-8,13,19,21H2,1-4H3

>  <InChI Key>
BQMYVJFIUYEZOY-UHFFFAOYSA-N

