N-(2-azanylcyclohexyl)-4-cyano-N-[[4-[(4-nitrophenyl)carbonylamino]phenyl]methyl]benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-4-cyano-N-[[4-[(4-nitrophenyl)carbonylamino]phenyl]methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-4-cyano-N-[[4-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-4-cyano-N-[[4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-4-cyano-N-[[4-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-4-cyano-N-[4-[(4-nitrobenzoyl)amino]benzyl]benzamide Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H27N5O4/c29-17-19-5-9-22(10-6-19)28(35)32(26-4-2-1-3-25(26)30)18-20-7-13-23(14-8-20)31-27(34)21-11-15-24(16-12-21)33(36)37/h5-16,25-26H,1-4,18,30H2,(H,31,34)