
 CHEMBL3314362

 54 57  0  0  0  0  0  0  0  0999 V2000
    0.8407    0.5240    1.1597 C   0  0  0  0  0
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    6.7551    2.3536    0.1688 N   0  0  0  0  0
    5.3652    2.6144    0.5337 C   0  0  0  0  0
    4.4731    1.3979    0.3995 C   0  0  0  0  0
    3.1364    1.4744    0.8194 C   0  0  0  0  0
    7.7316    3.1755    0.7241 C   0  0  0  0  0
    7.3990    4.1614    1.3845 O   0  0  0  0  0
    9.1413    2.8440    0.5432 C   0  0  0  0  0
    9.7637    1.6110    0.4091 C   0  0  0  0  0
   11.1682    1.8007    0.3443 C   0  0  0  0  0
   11.4036    3.1664    0.4981 C   0  0  0  0  0
   10.1673    3.7788    0.5944 N   0  0  0  0  0
    9.9647    5.2084    0.7346 C   0  0  0  0  0
   12.7071    3.6906    0.5451 C   0  0  0  0  0
   13.7806    2.8044    0.4104 C   0  0  0  0  0
   13.5578    1.4437    0.2313 C   0  0  0  0  0
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   14.9013    0.3793    0.0568 Cl  0  0  0  0  0
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    1.9942   -2.2012   -2.3792 C   0  0  0  0  0
    0.2529   -3.3200   -1.1817 C   0  0  0  0  0
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    4.4900   -1.8496   -0.6185 H   0  0  0  0  0
    6.9733   -0.3883    0.0960 H   0  0  0  0  0
    6.3927   -0.5174   -1.5785 H   0  0  0  0  0
    7.9535    1.4228   -1.3357 H   0  0  0  0  0
    6.3609    1.9415   -1.8190 H   0  0  0  0  0
    4.9979    3.4071   -0.1296 H   0  0  0  0  0
    5.3194    2.9766    1.5673 H   0  0  0  0  0
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    9.7164    5.4169    1.7779 H   0  0  0  0  0
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    1.2128   -2.1221    0.9124 H   0  0  0  0  0
    2.5325   -2.9805    0.1664 H   0  0  0  0  0
    2.5391   -1.2618   -2.5164 H   0  0  0  0  0
    1.4002   -2.3320   -3.2909 H   0  0  0  0  0
    2.7168   -3.0239   -2.3243 H   0  0  0  0  0
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    0.8189   -4.2554   -1.0993 H   0  0  0  0  0
   -0.3521   -3.3648   -2.0945 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 30  1  0  0  0
  1 31  1  0  0  0
  2 11  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  2  0  0  0
  4 32  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
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  9 37  1  0  0  0
  9 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3314362

>  <PubChem CID>
118707562

>  <Formula>
C23H26ClN3O

>  <Molecular Weight>
395.931000

>  <IUPAC Name>
(5-chloro-1-methylindol-2-yl)-[6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C(C=C2CCN(CC2=C1)C(=O)C3=CC4=C(N3C)C=CC(=C4)Cl)CN(C)C

>  <Isomeric SMILES>
CC1=C(C=C2CCN(CC2=C1)C(=O)C3=CC4=C(N3C)C=CC(=C4)Cl)CN(C)C

>  <InChI Std. ID>
InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3

>  <InChI Key>
CKRWGBKIBACFNV-UHFFFAOYSA-N

