1-isoquinolin-3-ylbutan-1-one

Systemtic Name: 1-isoquinolin-3-ylbutan-1-one Openeye Name: 1-(3-isoquinolyl)butan-1-one CAS Name: 1-(3-isoquinolinyl)-1-butanone IUPAC Name: 1-isoquinolin-3-ylbutan-1-one Traditional Name: 1-(3-isoquinolyl)butan-1-one Formula: C13H13NO MolecularWeight: 199.24842

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=CC=CC=C2C=N1

Isomeric SMILES

CCCC(=O)C1=CC2=CC=CC=C2C=N1

InChI

InChI=1S/C13H13NO/c1-2-5-13(15)12-8-10-6-3-4-7-11(10)9-14-12/h3-4,6-9H,2,5H2,1H3