
 CHEMBL186350

 45 48  0  0  0  0  0  0  0  0999 V2000
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    1.1643    0.4702    0.1074 C   0  0  0  0  0
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   -0.8956   -0.8580    0.0022 C   0  0  0  0  0
   -2.3931   -1.0471   -0.0560 C   0  0  0  0  0
   -3.1888    0.1705    0.1672 N   0  0  0  0  0
   -2.5916    1.3086   -0.5496 C   0  0  0  0  0
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   -7.5281    0.0107    1.6556 H   0  0  0  0  0
  1 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL186350

>  <PubChem CID>
2767081

>  <Formula>
C21H23N

>  <Molecular Weight>
289.422000

>  <IUPAC Name>
3-(2-phenylethyl)-2,4,5,6-tetrahydro-1H-benzo[f]isoquinoline

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CC2=CC=CC=C2C3=C1CN(CC3)CCC4=CC=CC=C4

>  <Isomeric SMILES>
C1CC2=CC=CC=C2C3=C1CN(CC3)CCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C21H23N/c1-2-6-17(7-3-1)12-14-22-15-13-21-19(16-22)11-10-18-8-4-5-9-20(18)21/h1-9H,10-16H2

>  <InChI Key>
CTGJCBHUIMTVHX-UHFFFAOYSA-N

