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

Systemtic Name: 7-(2-morpholin-4-ylethylamino)-3-[2-(trifluoromethyloxy)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-(2-morpholinoethylamino)-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one CAS Name: 7-[2-(4-morpholinyl)ethylamino]-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-(2-morpholin-4-ylethylamino)-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(2-morpholinoethylamino)-3-[2-(trifluoromethoxy)phenyl]isocarbostyril Formula: C22H22F3N3O3 MolecularWeight: 433.42359

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4OC(F)(F)F

Isomeric SMILES

C1COCCN1CCNC2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4OC(F)(F)F

InChI

InChI=1S/C22H22F3N3O3/c23-22(24,25)31-20-4-2-1-3-17(20)19-13-15-5-6-16(14-18(15)21(29)27-19)26-7-8-28-9-11-30-12-10-28/h1-6,13-14,26H,7-12H2,(H,27,29)