3-butyl-2H-isoquinolin-1-one

Systemtic Name: 3-butyl-2H-isoquinolin-1-one Openeye Name: 3-butyl-2H-isoquinolin-1-one CAS Name: 3-butyl-2H-isoquinolin-1-one IUPAC Name: 3-butyl-2H-isoquinolin-1-one Traditional Name: 3-butylisocarbostyril Formula: C13H15NO MolecularWeight: 201.2643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=O)N1

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C13H15NO/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(15)14-11/h4-6,8-9H,2-3,7H2,1H3,(H,14,15)