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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)F)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)F)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H27FN4O2/c29-23-6-3-5-21(16-23)27(34)32-26-7-2-1-4-22(26)18-33(25-14-12-24(31)13-15-25)28(35)20-10-8-19(17-30)9-11-20/h1-11,16,24-25H,12-15,18,31H2,(H,32,34)