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

Systemtic Name: (E)-N-(3-chlorophenyl)-2-cyano-3-[4-(diphenylmethyl)piperazin-1-yl]prop-2-enamide Openeye Name: (E)-3-(4-benzhydrylpiperazin-1-yl)-N-(3-chlorophenyl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(3-chlorophenyl)-2-cyano-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propenamide IUPAC Name: (E)-3-(4-benzhydrylpiperazin-1-yl)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(4-benzhydrylpiperazino)-N-(3-chlorophenyl)-2-cyano-acrylamide Formula: C27H25ClN4O MolecularWeight: 456.9666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=C(C#N)C(=O)NC2=CC(=CC=C2)Cl)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)Cl)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25ClN4O/c28-24-12-7-13-25(18-24)30-27(33)23(19-29)20-31-14-16-32(17-15-31)26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,18,20,26H,14-17H2,(H,30,33)/b23-20+