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

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-3-fluoro-benzamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-3-fluorobenzamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-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(=CC=C3)F)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

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

InChI

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