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

Systemtic Name: 3-methyl-N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-4-nitro-benzamide CAS Name: 3-methyl-N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-4-nitrobenzamide Traditional Name: 3-methyl-4-nitro-N-[4-(4-o-toluoylpiperazino)phenyl]benzamide Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O4/c1-18-5-3-4-6-23(18)26(32)29-15-13-28(14-16-29)22-10-8-21(9-11-22)27-25(31)20-7-12-24(30(33)34)19(2)17-20/h3-12,17H,13-16H2,1-2H3,(H,27,31)