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

Systemtic Name: N-(4-azanylcyclohexyl)-3-nitro-4-(4-pyridin-4-ylcarbonylpiperazin-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-isonicotinoylpiperazino)-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=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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