(E)-N-(3-chlorophenyl)-2-cyano-3-[4-(phenylmethyl)piperazin-1-yl]prop-2-enamide

Systemtic Name: (E)-N-(3-chlorophenyl)-2-cyano-3-[4-(phenylmethyl)piperazin-1-yl]prop-2-enamide Openeye Name: (E)-3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(3-chlorophenyl)-2-cyano-3-[4-(phenylmethyl)-1-piperazinyl]-2-propenamide IUPAC Name: (E)-3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(4-benzylpiperazino)-N-(3-chlorophenyl)-2-cyano-acrylamide Formula: C21H21ClN4O MolecularWeight: 380.87064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)/C=C(\C#N)/C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H21ClN4O/c22-19-7-4-8-20(13-19)24-21(27)18(14-23)16-26-11-9-25(10-12-26)15-17-5-2-1-3-6-17/h1-8,13,16H,9-12,15H2,(H,24,27)/b18-16+