N-(4-azanylcyclohexyl)-3-nitro-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-nitro-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-nicotinoylpiperazino)-3-nitro-benzamide Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O4/c24-18-4-6-19(7-5-18)26-22(30)16-3-8-20(21(14-16)29(32)33)27-10-12-28(13-11-27)23(31)17-2-1-9-25-15-17/h1-3,8-9,14-15,18-19H,4-7,10-13,24H2,(H,26,30)