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

Systemtic Name: N-(2-azanylcyclohexyl)-N-[[4-[(4-cyanophenyl)carbonylamino]phenyl]methyl]-3-fluoranyl-benzamide Openeye Name: N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluoro-benzamide CAS Name: N-(2-aminocyclohexyl)-N-[[4-[[(4-cyanophenyl)-oxomethyl]amino]phenyl]methyl]-3-fluorobenzamide IUPAC Name: N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide Traditional Name: N-(2-aminocyclohexyl)-N-[4-[(4-cyanobenzoyl)amino]benzyl]-3-fluoro-benzamide Formula: C28H27FN4O2 MolecularWeight: 470.537983

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)C#N)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)C#N)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C28H27FN4O2/c29-23-5-3-4-22(16-23)28(35)33(26-7-2-1-6-25(26)31)18-20-10-14-24(15-11-20)32-27(34)21-12-8-19(17-30)9-13-21/h3-5,8-16,25-26H,1-2,6-7,18,31H2,(H,32,34)