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

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]-2-methyl-3-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=C(C(=CC=C4)[N+](=O)[O-])C)Cl

Isomeric SMILES

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

InChI

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