N-(4-azanylcyclohexyl)-4-(4-cyclobutylcarbonylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclobutylcarbonylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclobutyl(oxo)methyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclobutanecarbonyl)piperazino]-3-nitro-benzamide Formula: C22H31N5O4 MolecularWeight: 429.51264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

Isomeric SMILES

C1CC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

InChI

InChI=1S/C22H31N5O4/c23-17-5-7-18(8-6-17)24-21(28)16-4-9-19(20(14-16)27(30)31)25-10-12-26(13-11-25)22(29)15-2-1-3-15/h4,9,14-15,17-18H,1-3,5-8,10-13,23H2,(H,24,28)