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

Systemtic Name: N-[4-[4-[2-(2-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[4-[4-[2-(o-tolyl)acetyl]piperazin-1-yl]phenyl]benzamide CAS Name: N-[4-[4-[2-(2-methylphenyl)-1-oxoethyl]-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[4-[4-[2-(o-tolyl)acetyl]piperazino]phenyl]benzamide Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O4/c1-19-5-2-3-6-20(19)18-25(31)29-15-13-28(14-16-29)23-11-9-22(10-12-23)27-26(32)21-7-4-8-24(17-21)30(33)34/h2-12,17H,13-16,18H2,1H3,(H,27,32)