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

Systemtic Name: 4-methyl-N-[4-[4-[2-(2-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: 4-methyl-3-nitro-N-[4-[4-[2-(o-tolyl)acetyl]piperazin-1-yl]phenyl]benzamide CAS Name: 4-methyl-N-[4-[4-[2-(2-methylphenyl)-1-oxoethyl]-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: 4-methyl-3-nitro-N-[4-[4-[2-(o-tolyl)acetyl]piperazino]phenyl]benzamide Formula: C27H28N4O4 MolecularWeight: 472.53562

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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)CC4=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)CC4=CC=CC=C4C)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O4/c1-19-5-3-4-6-21(19)18-26(32)30-15-13-29(14-16-30)24-11-9-23(10-12-24)28-27(33)22-8-7-20(2)25(17-22)31(34)35/h3-12,17H,13-16,18H2,1-2H3,(H,28,33)