7-(2,6-dimethylmorpholin-4-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one

Systemtic Name: 7-(2,6-dimethylmorpholin-4-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-(2,6-dimethylmorpholin-4-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 7-(2,6-dimethyl-4-morpholinyl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-(2,6-dimethylmorpholin-4-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(2,6-dimethylmorpholino)-3-[2-(trifluoromethyl)phenyl]isocarbostyril Formula: C22H21F3N2O2 MolecularWeight: 402.40955

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC1CN(CC(O1)C)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H21F3N2O2/c1-13-11-27(12-14(2)29-13)16-8-7-15-9-20(26-21(28)18(15)10-16)17-5-3-4-6-19(17)22(23,24)25/h3-10,13-14H,11-12H2,1-2H3,(H,26,28)