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

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(morpholine-4-carbonyl)piperazino]-3-nitro-benzamide Formula: C22H32N6O5 MolecularWeight: 460.52668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H32N6O5/c23-17-2-4-18(5-3-17)24-21(29)16-1-6-19(20(15-16)28(31)32)25-7-9-26(10-8-25)22(30)27-11-13-33-14-12-27/h1,6,15,17-18H,2-5,7-14,23H2,(H,24,29)