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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CN=C(O2)C(=O)CCCCC#CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)C2=CN=C(O2)C(=O)CCCCC#CC3=CC(=CC=C3)C(F)(F)F

InChI

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