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

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclohexyl(oxo)methyl]-1,4-diazepan-1-yl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-3-nitro-benzamide Formula: C25H37N5O4 MolecularWeight: 471.59238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

InChI

InChI=1S/C25H37N5O4/c26-20-8-10-21(11-9-20)27-24(31)19-7-12-22(23(17-19)30(33)34)28-13-4-14-29(16-15-28)25(32)18-5-2-1-3-6-18/h7,12,17-18,20-21H,1-6,8-11,13-16,26H2,(H,27,31)