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

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

C1CCC(C(C1)N)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

C1CCC(C(C1)N)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/c29-24-14-11-22(32-27(35)19-9-12-23(13-10-19)34(37)38)15-21(24)17-33(26-4-2-1-3-25(26)31)28(36)20-7-5-18(16-30)6-8-20/h5-15,25-26H,1-4,17,31H2,(H,32,35)