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

Systemtic Name: 4-methyl-N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: 4-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=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)[N+](=O)[O-]

InChI

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