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

Systemtic Name: N-(4-azanylcyclohexyl)-4-cyano-N-[[3-[(4-nitrophenyl)carbonylamino]phenyl]methyl]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-cyano-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide CAS Name: N-(4-aminocyclohexyl)-4-cyano-N-[[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]methyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-cyano-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-cyano-N-[3-[(4-nitrobenzoyl)amino]benzyl]benzamide Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H27N5O4/c29-17-19-4-6-22(7-5-19)28(35)32(25-14-10-23(30)11-15-25)18-20-2-1-3-24(16-20)31-27(34)21-8-12-26(13-9-21)33(36)37/h1-9,12-13,16,23,25H,10-11,14-15,18,30H2,(H,31,34)