3-azanyl-4-[2-(dimethylamino)ethanoyl]-7-fluoranyl-2H-isoquinolin-1-one hydrochloride

Systemtic Name: 3-azanyl-4-[2-(dimethylamino)ethanoyl]-7-fluoranyl-2H-isoquinolin-1-one hydrochloride Openeye Name: 3-amino-4-[2-(dimethylamino)acetyl]-7-fluoro-2H-isoquinolin-1-one hydrochloride CAS Name: 3-amino-4-[2-(dimethylamino)-1-oxoethyl]-7-fluoro-2H-isoquinolin-1-one hydrochloride IUPAC Name: 3-amino-4-[2-(dimethylamino)acetyl]-7-fluoro-2H-isoquinolin-1-one hydrochloride Traditional Name: 3-amino-4-[2-(dimethylamino)acetyl]-7-fluoro-isocarbostyril hydrochloride Formula: C13H15ClFN3O2 MolecularWeight: 299.728503

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=O)C1=C(NC(=O)C2=C1C=CC(=C2)F)N.Cl

Isomeric SMILES

CN(C)CC(=O)C1=C(NC(=O)C2=C1C=CC(=C2)F)N.Cl

InChI

InChI=1S/C13H14FN3O2.ClH/c1-17(2)6-10(18)11-8-4-3-7(14)5-9(8)13(19)16-12(11)15;/h3-5H,6H2,1-2H3,(H3,15,16,19);1H