3-azanyl-2-butyl-isoquinolin-1-one

Systemtic Name: 3-azanyl-2-butyl-isoquinolin-1-one Openeye Name: 3-amino-2-butyl-isoquinolin-1-one CAS Name: 3-amino-2-butyl-1-isoquinolinone IUPAC Name: 3-amino-2-butylisoquinolin-1-one Traditional Name: 3-amino-2-butyl-isocarbostyril Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC2=CC=CC=C2C1=O)N

Isomeric SMILES

CCCCN1C(=CC2=CC=CC=C2C1=O)N

InChI

InChI=1S/C13H16N2O/c1-2-3-8-15-12(14)9-10-6-4-5-7-11(10)13(15)16/h4-7,9H,2-3,8,14H2,1H3