N-(4-azanylcyclohexyl)-4-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-3-nitro-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-3-nitro-4-(4-veratroyl-1,4-diazepan-1-yl)benzamide Formula: C27H35N5O6 MolecularWeight: 525.5967

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-])OC

InChI

InChI=1S/C27H35N5O6/c1-37-24-11-5-19(17-25(24)38-2)27(34)31-13-3-12-30(14-15-31)22-10-4-18(16-23(22)32(35)36)26(33)29-21-8-6-20(28)7-9-21/h4-5,10-11,16-17,20-21H,3,6-9,12-15,28H2,1-2H3,(H,29,33)