3-butyl-2-oxidanyl-isoquinolin-1-one

Systemtic Name: 3-butyl-2-oxidanyl-isoquinolin-1-one Openeye Name: 3-butyl-2-hydroxy-isoquinolin-1-one CAS Name: 3-butyl-2-hydroxy-1-isoquinolinone IUPAC Name: 3-butyl-2-hydroxyisoquinolin-1-one Traditional Name: 3-butyl-2-hydroxy-isocarbostyril Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=O)N1O

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=O)N1O

InChI

InChI=1S/C13H15NO2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(15)14(11)16/h4-6,8-9,16H,2-3,7H2,1H3