(4-bromanyl-2-fluoranyl-phenyl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (4-bromo-2-fluoro-phenyl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: (4-bromo-2-fluorophenyl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (4-bromo-2-fluorophenyl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (4-bromo-2-fluoro-phenyl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C20H21BrFNO3 MolecularWeight: 422.288043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C=C(C=C3)Br)F)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C=C(C=C3)Br)F)OCC

InChI

InChI=1S/C20H21BrFNO3/c1-3-25-18-9-13-7-8-23(12-14(13)10-19(18)26-4-2)20(24)16-6-5-15(21)11-17(16)22/h5-6,9-11H,3-4,7-8,12H2,1-2H3