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

Systemtic Name: (E)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-3-[4-(3-chlorophenyl)-1-piperazinyl]-2-cyano-N-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-3-[4-(3-chlorophenyl)piperazino]-2-cyano-N-(4-methoxyphenyl)acrylamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=CN2CCN(CC2)C3=CC(=CC=C3)Cl)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)/C(=C/N2CCN(CC2)C3=CC(=CC=C3)Cl)/C#N

InChI

InChI=1S/C21H21ClN4O2/c1-28-20-7-5-18(6-8-20)24-21(27)16(14-23)15-25-9-11-26(12-10-25)19-4-2-3-17(22)13-19/h2-8,13,15H,9-12H2,1H3,(H,24,27)/b16-15+