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

Systemtic Name: N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: N-[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[4-(4-p-toluoylpiperazino)phenyl]benzamide Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O4/c1-18-5-7-19(8-6-18)25(31)28-15-13-27(14-16-28)22-11-9-21(10-12-22)26-24(30)20-3-2-4-23(17-20)29(32)33/h2-12,17H,13-16H2,1H3,(H,26,30)