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

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]-3-(3-nitrophenyl)acrylamide Formula: C27H25ClN4O4 MolecularWeight: 504.9648

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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)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H25ClN4O4/c1-19-5-2-3-8-23(19)27(34)31-15-13-30(14-16-31)25-11-10-21(18-24(25)28)29-26(33)12-9-20-6-4-7-22(17-20)32(35)36/h2-12,17-18H,13-16H2,1H3,(H,29,33)