N-(4-azanylcyclohexyl)-4-[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(6-chloro-3-pyridinyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(6-chloronicotinoyl)piperazino]-3-nitro-benzamide Formula: C23H27ClN6O4 MolecularWeight: 486.95128

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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=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN6O4/c24-21-8-2-16(14-26-21)23(32)29-11-9-28(10-12-29)19-7-1-15(13-20(19)30(33)34)22(31)27-18-5-3-17(25)4-6-18/h1-2,7-8,13-14,17-18H,3-6,9-12,25H2,(H,27,31)