N-(4-azanylcyclohexyl)-3-nitro-4-[4-(phenylcarbonyl)piperazin-1-yl]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-nitro-4-[4-(phenylcarbonyl)piperazin-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-(4-benzoylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-(4-benzoyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-(4-benzoylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-benzoylpiperazino)-3-nitro-benzamide Formula: C24H29N5O4 MolecularWeight: 451.51816

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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=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O4/c25-19-7-9-20(10-8-19)26-23(30)18-6-11-21(22(16-18)29(32)33)27-12-14-28(15-13-27)24(31)17-4-2-1-3-5-17/h1-6,11,16,19-20H,7-10,12-15,25H2,(H,26,30)