3-azanyl-7-fluoranyl-4-(2-pyrrolidin-1-ylethanoyl)-2H-isoquinolin-1-one hydrochloride

Systemtic Name: 3-azanyl-7-fluoranyl-4-(2-pyrrolidin-1-ylethanoyl)-2H-isoquinolin-1-one hydrochloride Openeye Name: 3-amino-7-fluoro-4-(2-pyrrolidin-1-ylacetyl)-2H-isoquinolin-1-one hydrochloride CAS Name: 3-amino-7-fluoro-4-[1-oxo-2-(1-pyrrolidinyl)ethyl]-2H-isoquinolin-1-one hydrochloride IUPAC Name: 3-amino-7-fluoro-4-(2-pyrrolidin-1-ylacetyl)-2H-isoquinolin-1-one hydrochloride Traditional Name: 3-amino-7-fluoro-4-(2-pyrrolidinoacetyl)isocarbostyril hydrochloride Formula: C15H17ClFN3O2 MolecularWeight: 325.765783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(=O)C2=C(NC(=O)C3=C2C=CC(=C3)F)N.Cl

Isomeric SMILES

C1CCN(C1)CC(=O)C2=C(NC(=O)C3=C2C=CC(=C3)F)N.Cl

InChI

InChI=1S/C15H16FN3O2.ClH/c16-9-3-4-10-11(7-9)15(21)18-14(17)13(10)12(20)8-19-5-1-2-6-19;/h3-4,7H,1-2,5-6,8H2,(H3,17,18,21);1H