3-bromanyl-4-(2-oxidanylpropoxy)-2H-isoquinolin-1-one

Systemtic Name: 3-bromanyl-4-(2-oxidanylpropoxy)-2H-isoquinolin-1-one Openeye Name: 3-bromo-4-(2-hydroxypropoxy)-2H-isoquinolin-1-one CAS Name: 3-bromo-4-(2-hydroxypropoxy)-2H-isoquinolin-1-one IUPAC Name: 3-bromo-4-(2-hydroxypropoxy)-2H-isoquinolin-1-one Traditional Name: 3-bromo-4-(2-hydroxypropoxy)isocarbostyril Formula: C12H12BrNO3 MolecularWeight: 298.13258

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(NC(=O)C2=CC=CC=C21)Br)O

Isomeric SMILES

CC(COC1=C(NC(=O)C2=CC=CC=C21)Br)O

InChI

InChI=1S/C12H12BrNO3/c1-7(15)6-17-10-8-4-2-3-5-9(8)12(16)14-11(10)13/h2-5,7,15H,6H2,1H3,(H,14,16)