N-(cyanomethyl)-2-[3-[5-fluoranyl-2-(1H-pyrrol-3-ylmethyl)phenyl]phenyl]-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[3-[5-fluoranyl-2-(1H-pyrrol-3-ylmethyl)phenyl]phenyl]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[3-[5-fluoro-2-(1H-pyrrol-3-ylmethyl)phenyl]phenyl]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[3-[5-fluoro-2-(1H-pyrrol-3-ylmethyl)phenyl]phenyl]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[3-[5-fluoro-2-(1H-pyrrol-3-ylmethyl)phenyl]phenyl]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[3-[5-fluoro-2-(1H-pyrrol-3-ylmethyl)phenyl]phenyl]-4-methyl-valeramide Formula: C25H26FN3O MolecularWeight: 403.491843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=C(C=CC(=C2)F)CC3=CNC=C3)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=C(C=CC(=C2)F)CC3=CNC=C3)C(=O)NCC#N

InChI

InChI=1S/C25H26FN3O/c1-17(2)12-24(25(30)29-11-9-27)20-5-3-4-19(14-20)23-15-22(26)7-6-21(23)13-18-8-10-28-16-18/h3-8,10,14-17,24,28H,11-13H2,1-2H3,(H,29,30)