N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-phenyl-prop-2-enamide

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-phenyl-prop-2-enamide Openeye Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-phenyl-prop-2-enamide CAS Name: N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-phenyl-2-propenamide IUPAC Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-phenylprop-2-enamide Traditional Name: N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]-3-phenyl-acrylamide Formula: C27H26ClN3O2 MolecularWeight: 459.96724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C=CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C=CC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H26ClN3O2/c1-20-7-5-6-10-23(20)27(33)31-17-15-30(16-18-31)25-13-12-22(19-24(25)28)29-26(32)14-11-21-8-3-2-4-9-21/h2-14,19H,15-18H2,1H3,(H,29,32)