
 CHEMBL197342

 59 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL197342

>  <PubChem CID>
11532051

>  <Formula>
C27H28ClN3

>  <Molecular Weight>
429.992000

>  <IUPAC Name>
5-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CN(CCN1CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C27H28ClN3/c28-25-12-14-26(15-13-25)31-20-18-30(19-21-31)17-7-16-27(22-29,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15H,7,16-21H2

>  <InChI Key>
VPNIQTLKZFUCQM-UHFFFAOYSA-N

