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

Systemtic Name: 7-[2-azanylethyl(methyl)amino]-3-[2-(trifluoromethyloxy)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-[2-aminoethyl(methyl)amino]-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one CAS Name: 7-[2-aminoethyl(methyl)amino]-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-[2-aminoethyl(methyl)amino]-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-[2-aminoethyl(methyl)amino]-3-[2-(trifluoromethoxy)phenyl]isocarbostyril Formula: C19H18F3N3O2 MolecularWeight: 377.36033

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN)C1=CC2=C(C=C1)C=C(NC2=O)C3=CC=CC=C3OC(F)(F)F

Isomeric SMILES

CN(CCN)C1=CC2=C(C=C1)C=C(NC2=O)C3=CC=CC=C3OC(F)(F)F

InChI

InChI=1S/C19H18F3N3O2/c1-25(9-8-23)13-7-6-12-10-16(24-18(26)15(12)11-13)14-4-2-3-5-17(14)27-19(20,21)22/h2-7,10-11H,8-9,23H2,1H3,(H,24,26)