N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-[(4-nitrophenyl)carbonylamino]phenyl]methyl]-4-cyano-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-[(4-nitrophenyl)carbonylamino]phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]methyl]-4-cyano-benzamide CAS Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(4-aminocyclohexyl)-N-[2-chloro-5-[(4-nitrobenzoyl)amino]benzyl]-4-cyano-benzamide Formula: C28H26ClN5O4 MolecularWeight: 531.99014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26ClN5O4/c29-26-14-9-23(32-27(35)19-5-10-25(11-6-19)34(37)38)15-21(26)17-33(24-12-7-22(31)8-13-24)28(36)20-3-1-18(16-30)2-4-20/h1-6,9-11,14-15,22,24H,7-8,12-13,17,31H2,(H,32,35)