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

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

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

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C#N)C(=O)C4=CC(=CC=C4)F

InChI

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