N-[(4-methylphenyl)methyl]-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide

Systemtic Name: N-[(4-methylphenyl)methyl]-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Openeye Name: 3-nitro-N-(p-tolylmethyl)-4-[4-(2-pyridyl)piperazin-1-yl]benzamide CAS Name: N-[(4-methylphenyl)methyl]-3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]benzamide IUPAC Name: N-[(4-methylphenyl)methyl]-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Traditional Name: N-(4-methylbenzyl)-3-nitro-4-[4-(2-pyridyl)piperazino]benzamide Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O3/c1-18-5-7-19(8-6-18)17-26-24(30)20-9-10-21(22(16-20)29(31)32)27-12-14-28(15-13-27)23-4-2-3-11-25-23/h2-11,16H,12-15,17H2,1H3,(H,26,30)