
 CHEMBL423891

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M  END

>  <Chemical Name>
CHEMBL423891

>  <PubChem CID>
9996872

>  <Formula>
C20H20N4O

>  <Molecular Weight>
332.407000

>  <IUPAC Name>
2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)C=CC3=CC=CC=C3

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

>  <InChI Std. ID>
InChI=1S/C20H20N4O/c21-15-19(18-7-4-10-22-16-18)23-11-13-24(14-12-23)20(25)9-8-17-5-2-1-3-6-17/h1-10,16,19H,11-14H2/b9-8+

>  <InChI Key>
KWLHBPRKPZDBEA-CMDGGOBGSA-N

