N-(2-azanylcyclohexyl)-4-cyano-N-[[3-[(4-nitrophenyl)carbonylamino]phenyl]methyl]benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-4-cyano-N-[[3-[(4-nitrophenyl)carbonylamino]phenyl]methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-4-cyano-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-4-cyano-N-[[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-4-cyano-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide Traditional Name: N-(2-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:

C1CCC(C(C1)N)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

C1CCC(C(C1)N)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/c29-17-19-8-10-22(11-9-19)28(35)32(26-7-2-1-6-25(26)30)18-20-4-3-5-23(16-20)31-27(34)21-12-14-24(15-13-21)33(36)37/h3-5,8-16,25-26H,1-2,6-7,18,30H2,(H,31,34)