N-(4-azanylcyclohexyl)-4-(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)-3-nitro-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-3-nitro-benzamide Formula: C23H33N5O4 MolecularWeight: 443.53922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

Isomeric SMILES

C1CC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

InChI

InChI=1S/C23H33N5O4/c24-18-6-8-19(9-7-18)25-22(29)17-5-10-20(21(15-17)28(31)32)26-11-2-12-27(14-13-26)23(30)16-3-1-4-16/h5,10,15-16,18-19H,1-4,6-9,11-14,24H2,(H,25,29)