
 CHEMBL131690

 56 59  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL131690

>  <PubChem CID>
10045642

>  <Formula>
C25H27N3O

>  <Molecular Weight>
385.511000

>  <IUPAC Name>
3,3-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CC2=CN=CC=C2)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCN1CC2=CN=CC=C2)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C25H27N3O/c29-25(28-16-14-27(15-17-28)20-21-8-7-13-26-19-21)18-24(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,19,24H,14-18,20H2

>  <InChI Key>
GJDOBZATTIEGBR-UHFFFAOYSA-N

