
 CHEMBL492480

 72 76  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL492480

>  <PubChem CID>
25107648

>  <Formula>
C31H37N3O

>  <Molecular Weight>
467.657000

>  <IUPAC Name>
1-(3,4-dihydro-1H-isoquinolin-2-yl)-6-[4-(2-phenylphenyl)piperazin-1-yl]hexan-1-one

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CC2=CC=CC=C21)C(=O)CCCCCN3CCN(CC3)C4=CC=CC=C4C5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CC2=CC=CC=C21)C(=O)CCCCCN3CCN(CC3)C4=CC=CC=C4C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C31H37N3O/c35-31(34-20-18-26-11-6-7-14-28(26)25-34)17-5-2-10-19-32-21-23-33(24-22-32)30-16-9-8-15-29(30)27-12-3-1-4-13-27/h1,3-4,6-9,11-16H,2,5,10,17-25H2

>  <InChI Key>
LZWDVLLURPUKQS-UHFFFAOYSA-N

