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

Systemtic Name: N-(2-azanylcyclohexyl)-3-fluoranyl-N-[[4-[(4-nitrophenyl)carbonylamino]phenyl]methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-3-fluoro-N-[[4-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-3-fluoro-N-[[4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-fluoro-N-[[4-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-3-fluoro-N-[4-[(4-nitrobenzoyl)amino]benzyl]benzamide Formula: C27H27FN4O4 MolecularWeight: 490.526083

Click to see the large picture

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(=CC=C4)F

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(=CC=C4)F

InChI

InChI=1S/C27H27FN4O4/c28-21-5-3-4-20(16-21)27(34)31(25-7-2-1-6-24(25)29)17-18-8-12-22(13-9-18)30-26(33)19-10-14-23(15-11-19)32(35)36/h3-5,8-16,24-25H,1-2,6-7,17,29H2,(H,30,33)