1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-[2-(trifluoromethyl)phenyl]hept-6-yn-1-one

Systemtic Name: 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-[2-(trifluoromethyl)phenyl]hept-6-yn-1-one Openeye Name: 1-[5-(2-pyridyl)oxazol-2-yl]-7-[2-(trifluoromethyl)phenyl]hept-6-yn-1-one CAS Name: 1-[5-(2-pyridinyl)-2-oxazolyl]-7-[2-(trifluoromethyl)phenyl]-6-heptyn-1-one IUPAC Name: 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-[2-(trifluoromethyl)phenyl]hept-6-yn-1-one Traditional Name: 1-[5-(2-pyridyl)oxazol-2-yl]-7-[2-(trifluoromethyl)phenyl]hept-6-yn-1-one Formula: C22H17F3N2O2 MolecularWeight: 398.37779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#CCCCCC(=O)C2=NC=C(O2)C3=CC=CC=N3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C#CCCCCC(=O)C2=NC=C(O2)C3=CC=CC=N3)C(F)(F)F

InChI

InChI=1S/C22H17F3N2O2/c23-22(24,25)17-11-6-5-10-16(17)9-3-1-2-4-13-19(28)21-27-15-20(29-21)18-12-7-8-14-26-18/h5-8,10-12,14-15H,1-2,4,13H2