4-bromanyl-3-[2-(2,2-dimethoxyethyl)phenyl]-2-methyl-isoquinolin-1-one

Systemtic Name: 4-bromanyl-3-[2-(2,2-dimethoxyethyl)phenyl]-2-methyl-isoquinolin-1-one Openeye Name: 4-bromo-3-[2-(2,2-dimethoxyethyl)phenyl]-2-methyl-isoquinolin-1-one CAS Name: 4-bromo-3-[2-(2,2-dimethoxyethyl)phenyl]-2-methyl-1-isoquinolinone IUPAC Name: 4-bromo-3-[2-(2,2-dimethoxyethyl)phenyl]-2-methylisoquinolin-1-one Traditional Name: 4-bromo-3-[2-(2,2-dimethoxyethyl)phenyl]-2-methyl-isocarbostyril Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)Br)C3=CC=CC=C3CC(OC)OC

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)Br)C3=CC=CC=C3CC(OC)OC

InChI

InChI=1S/C20H20BrNO3/c1-22-19(18(21)15-10-6-7-11-16(15)20(22)23)14-9-5-4-8-13(14)12-17(24-2)25-3/h4-11,17H,12H2,1-3H3