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

Systemtic Name: 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-4-nitro-N-(1-oxidanylidene-3-phenyl-propan-2-yl)benzamide Openeye Name: N-(1-benzyl-2-oxo-ethyl)-4-nitro-2-[4-(p-tolylmethyl)piperazin-1-yl]benzamide CAS Name: 2-[4-[(4-methylphenyl)methyl]-1-piperazinyl]-4-nitro-N-(1-oxo-3-phenylpropan-2-yl)benzamide IUPAC Name: 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-4-nitro-N-(1-oxo-3-phenylpropan-2-yl)benzamide Traditional Name: N-(1-benzyl-2-keto-ethyl)-2-[4-(4-methylbenzyl)piperazino]-4-nitro-benzamide Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)NC(CC4=CC=CC=C4)C=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)NC(CC4=CC=CC=C4)C=O

InChI

InChI=1S/C28H30N4O4/c1-21-7-9-23(10-8-21)19-30-13-15-31(16-14-30)27-18-25(32(35)36)11-12-26(27)28(34)29-24(20-33)17-22-5-3-2-4-6-22/h2-12,18,20,24H,13-17,19H2,1H3,(H,29,34)