7-[methyl(2-morpholin-4-ylethyl)amino]-3-[2-(trifluoromethyloxy)phenyl]-2H-isoquinolin-1-one

Systemtic Name: 7-[methyl(2-morpholin-4-ylethyl)amino]-3-[2-(trifluoromethyloxy)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-[methyl(2-morpholinoethyl)amino]-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one CAS Name: 7-[methyl-[2-(4-morpholinyl)ethyl]amino]-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-[methyl(2-morpholin-4-ylethyl)amino]-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-[methyl(2-morpholinoethyl)amino]-3-[2-(trifluoromethoxy)phenyl]isocarbostyril Formula: C23H24F3N3O3 MolecularWeight: 447.45017

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCOCC1)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4OC(F)(F)F

Isomeric SMILES

CN(CCN1CCOCC1)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4OC(F)(F)F

InChI

InChI=1S/C23H24F3N3O3/c1-28(8-9-29-10-12-31-13-11-29)17-7-6-16-14-20(27-22(30)19(16)15-17)18-4-2-3-5-21(18)32-23(24,25)26/h2-7,14-15H,8-13H2,1H3,(H,27,30)