7-[bis(2-hydroxyethyl)amino]-3-[2-(trifluoromethyloxy)phenyl]-2H-isoquinolin-1-one

Systemtic Name: 7-[bis(2-hydroxyethyl)amino]-3-[2-(trifluoromethyloxy)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-[bis(2-hydroxyethyl)amino]-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one CAS Name: 7-[bis(2-hydroxyethyl)amino]-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-[bis(2-hydroxyethyl)amino]-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-[bis(2-hydroxyethyl)amino]-3-[2-(trifluoromethoxy)phenyl]isocarbostyril Formula: C20H19F3N2O4 MolecularWeight: 408.37107

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC3=C(C=C(C=C3)N(CCO)CCO)C(=O)N2)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC3=C(C=C(C=C3)N(CCO)CCO)C(=O)N2)OC(F)(F)F

InChI

InChI=1S/C20H19F3N2O4/c21-20(22,23)29-18-4-2-1-3-15(18)17-11-13-5-6-14(12-16(13)19(28)24-17)25(7-9-26)8-10-27/h1-6,11-12,26-27H,7-10H2,(H,24,28)