2-(2-bromanyl-4-fluoranyl-phenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 2-(2-bromanyl-4-fluoranyl-phenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 2-(2-bromo-4-fluoro-phenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 2-(2-bromo-4-fluorophenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 2-(2-bromo-4-fluorophenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C20H21BrFNO4 MolecularWeight: 438.287443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)OC3=C(C=C(C=C3)F)Br

Isomeric SMILES

CC(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)OC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C20H21BrFNO4/c1-12(27-17-5-4-15(22)10-16(17)21)20(24)23-7-6-13-8-18(25-2)19(26-3)9-14(13)11-23/h4-5,8-10,12H,6-7,11H2,1-3H3