
 CHEMBL131597

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M  END

>  <Chemical Name>
CHEMBL131597

>  <PubChem CID>
10476736

>  <Formula>
C25H25N5O

>  <Molecular Weight>
411.509000

>  <IUPAC Name>
N-benzhydryl-4-[cyano(pyridin-3-yl)methyl]piperazine-1-carboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C25H25N5O/c26-18-23(22-12-7-13-27-19-22)29-14-16-30(17-15-29)25(31)28-24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,19,23-24H,14-17H2,(H,28,31)

>  <InChI Key>
DXVZCXIQVCCOEK-UHFFFAOYSA-N

