1-[1-(5-bromanyl-2-fluoranyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[1-(5-bromanyl-2-fluoranyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one Openeye Name: 1-[1-(5-bromo-2-fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one CAS Name: 1-[1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-butanone IUPAC Name: 1-[1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one Traditional Name: 1-[1-(5-bromo-2-fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one Formula: C22H25BrFNO3 MolecularWeight: 450.341203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC2=CC(=C(C=C2C1C3=C(C=CC(=C3)Br)F)OC)OC

Isomeric SMILES

CC(C)CC(=O)N1CCC2=CC(=C(C=C2C1C3=C(C=CC(=C3)Br)F)OC)OC

InChI

InChI=1S/C22H25BrFNO3/c1-13(2)9-21(26)25-8-7-14-10-19(27-3)20(28-4)12-16(14)22(25)17-11-15(23)5-6-18(17)24/h5-6,10-13,22H,7-9H2,1-4H3