7-(2-oxidanylideneazetidin-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one

Systemtic Name: 7-(2-oxidanylideneazetidin-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-(2-oxoazetidin-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 7-(2-oxo-1-azetidinyl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-(2-oxoazetidin-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(2-ketoazetidin-1-yl)-3-[2-(trifluoromethyl)phenyl]isocarbostyril Formula: C19H13F3N2O2 MolecularWeight: 358.31393

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1=O)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(C1=O)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C19H13F3N2O2/c20-19(21,22)15-4-2-1-3-13(15)16-9-11-5-6-12(24-8-7-17(24)25)10-14(11)18(26)23-16/h1-6,9-10H,7-8H2,(H,23,26)