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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=C(C#N)C(=O)NCC2=CC=CC=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1/C=C(\C#N)/C(=O)NCC2=CC=CC=C2)C3=CC(=CC=C3)Cl

InChI

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