(E)-3-azanyl-N-(4-chlorophenyl)-2-cyano-3-(4-phenylpiperazin-1-yl)prop-2-enamide

Systemtic Name: (E)-3-azanyl-N-(4-chlorophenyl)-2-cyano-3-(4-phenylpiperazin-1-yl)prop-2-enamide Openeye Name: (E)-3-amino-N-(4-chlorophenyl)-2-cyano-3-(4-phenylpiperazin-1-yl)prop-2-enamide CAS Name: (E)-3-amino-N-(4-chlorophenyl)-2-cyano-3-(4-phenyl-1-piperazinyl)-2-propenamide IUPAC Name: (E)-3-amino-N-(4-chlorophenyl)-2-cyano-3-(4-phenylpiperazin-1-yl)prop-2-enamide Traditional Name: (E)-3-amino-N-(4-chlorophenyl)-2-cyano-3-(4-phenylpiperazino)acrylamide Formula: C20H20ClN5O MolecularWeight: 381.8587

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=C(C#N)C(=O)NC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)/C(=C(\C#N)/C(=O)NC3=CC=C(C=C3)Cl)/N

InChI

InChI=1S/C20H20ClN5O/c21-15-6-8-16(9-7-15)24-20(27)18(14-22)19(23)26-12-10-25(11-13-26)17-4-2-1-3-5-17/h1-9H,10-13,23H2,(H,24,27)/b19-18+