N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]-3-methyl-4-nitro-benzamide Formula: C26H25ClN4O4 MolecularWeight: 492.9541

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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)C4=CC(=C(C=C4)[N+](=O)[O-])C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClN4O4/c1-17-5-3-4-6-21(17)26(33)30-13-11-29(12-14-30)24-10-8-20(16-22(24)27)28-25(32)19-7-9-23(31(34)35)18(2)15-19/h3-10,15-16H,11-14H2,1-2H3,(H,28,32)