
 CHEMBL6446

 47 50  0  0  0  0  0  0  0  0999 V2000
    1.1691    0.7006   -0.8777 C   0  0  0  0  0
    2.4438    1.2141   -0.3999 N   0  0  0  0  0
    2.8590    0.6052    0.8685 C   0  0  0  0  0
    4.2608    1.0927    1.3317 C   0  0  0  0  0
    4.6472    2.4059    0.7945 N   0  0  0  0  0
    5.7794    3.0005    1.5003 C   0  0  0  0  0
    6.3026    4.2559    0.7596 C   0  0  0  0  0
    5.1612    5.2190    0.4554 C   0  0  0  0  0
    5.4483    6.5697    0.1937 C   0  0  0  0  0
    4.4235    7.4702   -0.0876 C   0  0  0  0  0
    3.1034    7.0325   -0.1070 C   0  0  0  0  0
    2.8062    5.6919    0.1461 C   0  0  0  0  0
    3.8263    4.7598    0.4108 C   0  0  0  0  0
    3.4791    3.3033    0.7184 C   0  0  0  0  0
    2.4464    2.6950   -0.3003 C   0  0  0  0  0
    7.1357    3.8817   -0.4650 C   0  0  0  0  0
    8.5288    3.7647   -0.3529 C   0  0  0  0  0
    9.3014    3.3849   -1.4546 C   0  0  0  0  0
    8.7035    3.1042   -2.6840 C   0  0  0  0  0
    7.3205    3.2248   -2.8091 C   0  0  0  0  0
    6.5458    3.6016   -1.7074 C   0  0  0  0  0
    9.5667    2.7314   -3.6772 O   0  0  0  0  0
    8.9782    2.1907   -4.8535 C   0  0  0  0  0
    0.3504    0.9143   -0.1823 H   0  0  0  0  0
    1.2224   -0.3836   -1.0224 H   0  0  0  0  0
    0.9205    1.1366   -1.8507 H   0  0  0  0  0
    2.8886   -0.4871    0.7753 H   0  0  0  0  0
    2.1241    0.8434    1.6499 H   0  0  0  0  0
    5.0104    0.3621    1.0056 H   0  0  0  0  0
    4.2688    1.1007    2.4297 H   0  0  0  0  0
    6.5933    2.2705    1.5953 H   0  0  0  0  0
    5.4782    3.2758    2.5209 H   0  0  0  0  0
    6.9645    4.7774    1.4672 H   0  0  0  0  0
    6.4778    6.9213    0.2036 H   0  0  0  0  0
    4.6559    8.5111   -0.2903 H   0  0  0  0  0
    2.3022    7.7356   -0.3196 H   0  0  0  0  0
    1.7632    5.3851    0.1362 H   0  0  0  0  0
    3.0048    3.3219    1.7116 H   0  0  0  0  0
    1.4487    3.0501   -0.0113 H   0  0  0  0  0
    2.6488    3.0814   -1.3082 H   0  0  0  0  0
    9.0252    3.9580    0.5951 H   0  0  0  0  0
   10.3794    3.2928   -1.3498 H   0  0  0  0  0
    6.8085    3.0305   -3.7442 H   0  0  0  0  0
    5.4664    3.6628   -1.8290 H   0  0  0  0  0
    9.7874    1.8377   -5.5005 H   0  0  0  0  0
    8.4232    2.9576   -5.4039 H   0  0  0  0  0
    8.3398    1.3308   -4.6207 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  3  4  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 14  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 16  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  2  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 13  2  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
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 15 40  1  0  0  0
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 16 21  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 18 19  2  0  0  0
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 19 20  1  0  0  0
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 20 21  2  0  0  0
 20 43  1  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
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 23 46  1  0  0  0
 23 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL6446

>  <PubChem CID>
13457941

>  <Formula>
C20H24N2O

>  <Molecular Weight>
308.425000

>  <IUPAC Name>
7-(4-methoxyphenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCN2CC(C3=CC=CC=C3C2C1)C4=CC=C(C=C4)OC

>  <Isomeric SMILES>
CN1CCN2CC(C3=CC=CC=C3C2C1)C4=CC=C(C=C4)OC

>  <InChI Std. ID>
InChI=1S/C20H24N2O/c1-21-11-12-22-13-19(15-7-9-16(23-2)10-8-15)17-5-3-4-6-18(17)20(22)14-21/h3-10,19-20H,11-14H2,1-2H3

>  <InChI Key>
FEYVWLGBAFHKBN-UHFFFAOYSA-N

