
 CHEMBL328573

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.5433    4.3027   -1.0142 C   0  0  0  0  0
    2.9474    3.8810   -1.0304 N   0  0  0  0  0
    3.8106    5.0666   -1.0707 C   0  0  0  0  0
    3.2270    3.0302    0.1512 C   0  0  0  0  0
    4.6371    2.4181    0.2820 C   0  0  0  0  0
    5.1729    1.7428   -0.9629 C   0  0  0  0  0
    6.6756    1.7914   -0.7258 C   0  0  0  0  0
    7.3455    0.6058   -0.0524 C   0  0  0  0  0
    6.6482   -0.4793    0.5002 C   0  0  0  0  0
    7.3308   -1.5260    1.1250 C   0  0  0  0  0
    8.7188   -1.5045    1.2113 C   0  0  0  0  0
    9.4307   -0.4361    0.6720 C   0  0  0  0  0
    8.7574    0.6201    0.0387 C   0  0  0  0  0
    9.5419    1.7782   -0.5438 C   0  0  0  0  0
    9.3052    3.1137    0.1317 C   0  0  0  0  0
   10.4506    3.8703    0.4710 C   0  0  0  0  0
   10.3453    5.1083    1.0992 C   0  0  0  0  0
    9.0919    5.6160    1.3995 C   0  0  0  0  0
    7.9522    4.8846    1.0591 C   0  0  0  0  0
    8.0204    3.6327    0.4092 C   0  0  0  0  0
    6.8232    2.9894    0.0971 N   0  0  0  0  0
    5.5987    3.4214    0.6416 O   0  0  0  0  0
    0.8783    3.4323   -1.0316 H   0  0  0  0  0
    1.3077    4.8920   -1.9077 H   0  0  0  0  0
    1.3026    4.9053   -0.1308 H   0  0  0  0  0
    3.5098    5.7358   -1.8850 H   0  0  0  0  0
    4.8471    4.7945   -1.2871 H   0  0  0  0  0
    3.7787    5.6353   -0.1346 H   0  0  0  0  0
    2.5244    2.1868    0.1220 H   0  0  0  0  0
    3.0130    3.5991    1.0659 H   0  0  0  0  0
    4.6120    1.7030    1.1143 H   0  0  0  0  0
    4.9499    2.3473   -1.8507 H   0  0  0  0  0
    4.7508    0.7507   -1.1433 H   0  0  0  0  0
    7.1354    1.9328   -1.7119 H   0  0  0  0  0
    5.5639   -0.5304    0.4712 H   0  0  0  0  0
    6.7752   -2.3560    1.5543 H   0  0  0  0  0
    9.2470   -2.3154    1.7058 H   0  0  0  0  0
   10.5150   -0.4276    0.7559 H   0  0  0  0  0
   10.6104    1.5274   -0.4947 H   0  0  0  0  0
    9.3318    1.8720   -1.6167 H   0  0  0  0  0
   11.4451    3.4871    0.2501 H   0  0  0  0  0
   11.2387    5.6702    1.3563 H   0  0  0  0  0
    8.9903    6.5768    1.8931 H   0  0  0  0  0
    6.9803    5.3096    1.2985 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  7 34  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  2  0  0  0
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 11 12  1  0  0  0
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 13 14  1  0  0  0
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 15 16  2  0  0  0
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 16 41  1  0  0  0
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 18 19  1  0  0  0
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 19 20  2  0  0  0
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 20 21  1  0  0  0
 21 22  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL328573

>  <PubChem CID>
9839081

>  <Formula>
C19H22N2O

>  <Molecular Weight>
294.398000

>  <IUPAC Name>


>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)CC1CC2C3=CC=CC=C3CC4=CC=CC=C4N2O1

>  <Isomeric SMILES>
CN(C)C[C@@H]1C[C@@H]2C3=CC=CC=C3CC4=CC=CC=C4N2O1

>  <InChI Std. ID>
InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1

>  <InChI Key>
BTSCZNWXJQSJIE-QFBILLFUSA-N

