(2S,3R)-3-(2-fluorophenyl)-5-oxidanylidene-2,5-dipyridin-2-yl-pentanenitrile

Systemtic Name: (2S,3R)-3-(2-fluorophenyl)-5-oxidanylidene-2,5-dipyridin-2-yl-pentanenitrile Openeye Name: (2S,3R)-3-(2-fluorophenyl)-5-oxo-2,5-bis(2-pyridyl)pentanenitrile CAS Name: (2S,3R)-3-(2-fluorophenyl)-5-oxo-2,5-bis(2-pyridinyl)pentanenitrile IUPAC Name: (2S,3R)-3-(2-fluorophenyl)-5-oxo-2,5-dipyridin-2-ylpentanenitrile Traditional Name: (2S,3R)-3-(2-fluorophenyl)-5-keto-2,5-bis(2-pyridyl)valeronitrile Formula: C21H16FN3O MolecularWeight: 345.369643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(CC(=O)C2=CC=CC=N2)C(C#N)C3=CC=CC=N3)F

Isomeric SMILES

C1=CC=C(C(=C1)[C@H](CC(=O)C2=CC=CC=N2)[C@H](C#N)C3=CC=CC=N3)F

InChI

InChI=1S/C21H16FN3O/c22-18-8-2-1-7-15(18)16(13-21(26)20-10-4-6-12-25-20)17(14-23)19-9-3-5-11-24-19/h1-12,16-17H,13H2/t16-,17-/m0/s1