
 CHEMBL259971

 71 75  0  0  0  0  0  0  0  0999 V2000
    1.2280    0.6500    0.9266 C   0  0  0  0  0
    2.4309    0.3131    0.0448 C   0  0  0  0  0
    3.2700    1.5035   -0.4069 C   0  0  0  0  0
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    7.5592    2.6140   -1.8112 C   0  0  0  0  0
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    5.3525   -0.8222    0.1456 C   0  0  0  0  0
    5.7503   -3.1064    0.9315 O   0  0  0  0  0
    5.0414   -3.6045   -0.1980 C   0  0  0  0  0
    0.6443   -0.2589    1.1157 H   0  0  0  0  0
    0.5529    1.3831    0.4760 H   0  0  0  0  0
    1.5442    1.0450    1.8937 H   0  0  0  0  0
    2.0811   -0.2035   -0.8563 H   0  0  0  0  0
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    4.9921    4.7791   -1.6303 H   0  0  0  0  0
    2.5793    4.4919   -1.9431 H   0  0  0  0  0
    1.4763    2.4431   -1.2111 H   0  0  0  0  0
    7.2439    2.8191    0.3188 H   0  0  0  0  0
    6.9274    4.2449   -0.5786 H   0  0  0  0  0
    8.6213    2.8535   -1.7124 H   0  0  0  0  0
    7.1984    3.0635   -2.7408 H   0  0  0  0  0
    7.4583    1.5289   -1.8973 H   0  0  0  0  0
    7.4607   -3.1986    2.6826 H   0  0  0  0  0
    9.1025   -2.3907    4.3824 H   0  0  0  0  0
    9.4157   -1.9905    2.7124 H   0  0  0  0  0
    9.9169   -0.0507    4.0396 H   0  0  0  0  0
    8.3742   -0.0781    4.8371 H   0  0  0  0  0
    9.0689    0.7801    2.0581 H   0  0  0  0  0
    8.0250    1.5706    3.2334 H   0  0  0  0  0
    5.4442   -4.1637    3.6220 H   0  0  0  0  0
    5.1491   -3.7928    5.3158 H   0  0  0  0  0
    6.7453   -4.3881    4.7934 H   0  0  0  0  0
    7.2190   -0.8366    8.5563 H   0  0  0  0  0
    6.0243    1.2445    8.1655 H   0  0  0  0  0
    4.7135    2.7023    6.7421 H   0  0  0  0  0
    3.5105    3.1278    4.6376 H   0  0  0  0  0
    3.4267    1.3704    2.9010 H   0  0  0  0  0
    4.4950   -0.7967    3.2713 H   0  0  0  0  0
    8.2330   -2.7432    7.8435 H   0  0  0  0  0
    8.3063   -3.2066    6.1586 H   0  0  0  0  0
    6.9324   -3.7286    7.1723 H   0  0  0  0  0
    4.6938   -1.1310   -0.6561 H   0  0  0  0  0
    5.0454   -4.6972   -0.1410 H   0  0  0  0  0
    5.5345   -3.3190   -1.1330 H   0  0  0  0  0
    3.9965   -3.2754   -0.1838 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
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 35 71  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL259971

>  <PubChem CID>
25192897

>  <Formula>
C32H36N2O

>  <Molecular Weight>
464.653000

>  <IUPAC Name>
2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-5-amine

>  <XlogP>
8.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C32H36N2O/c1-6-22-13-10-14-23(7-2)30(22)27-20-29(35-5)31-26(33-27)16-11-17-28(31)34(4)32-21(3)18-19-24-12-8-9-15-25(24)32/h8-10,12-15,18-20,28H,6-7,11,16-17H2,1-5H3

>  <InChI Key>
CTFCGPRALFQSJL-UHFFFAOYSA-N

