N-(4-azanylcyclohexyl)-3,4-dimethoxy-N-[[3-[(4-nitrophenyl)carbonylamino]phenyl]methyl]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3,4-dimethoxy-N-[[3-[(4-nitrophenyl)carbonylamino]phenyl]methyl]benzamide Openeye Name: N-(4-aminocyclohexyl)-3,4-dimethoxy-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide CAS Name: N-(4-aminocyclohexyl)-3,4-dimethoxy-N-[[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]methyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3,4-dimethoxy-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3,4-dimethoxy-N-[3-[(4-nitrobenzoyl)amino]benzyl]benzamide Formula: C29H32N4O6 MolecularWeight: 532.58758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CCC(CC4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CCC(CC4)N)OC

InChI

InChI=1S/C29H32N4O6/c1-38-26-15-8-21(17-27(26)39-2)29(35)32(24-13-9-22(30)10-14-24)18-19-4-3-5-23(16-19)31-28(34)20-6-11-25(12-7-20)33(36)37/h3-8,11-12,15-17,22,24H,9-10,13-14,18,30H2,1-2H3,(H,31,34)