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

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

Isomeric SMILES

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

InChI

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