2-[3-(4-cyano-3-fluoranyl-phenyl)phenyl]-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[3-(4-cyano-3-fluoranyl-phenyl)phenyl]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[3-(4-cyano-3-fluoro-phenyl)phenyl]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[3-(4-cyano-3-fluorophenyl)phenyl]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[3-(4-cyano-3-fluorophenyl)phenyl]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[3-(4-cyano-3-fluoro-phenyl)phenyl]-N-(cyanomethyl)-4-methyl-valeramide Formula: C21H20FN3O MolecularWeight: 349.401403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC(=C(C=C2)C#N)F)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC(=C(C=C2)C#N)F)C(=O)NCC#N

InChI

InChI=1S/C21H20FN3O/c1-14(2)10-19(21(26)25-9-8-23)17-5-3-4-15(11-17)16-6-7-18(13-24)20(22)12-16/h3-7,11-12,14,19H,9-10H2,1-2H3,(H,25,26)