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

Systemtic Name: 3-azanyl-4-[3-(dimethylamino)propanoyl]-7-fluoranyl-2H-isoquinolin-1-one hydrochloride Openeye Name: 3-amino-4-[3-(dimethylamino)propanoyl]-7-fluoro-2H-isoquinolin-1-one hydrochloride CAS Name: 3-amino-4-[3-(dimethylamino)-1-oxopropyl]-7-fluoro-2H-isoquinolin-1-one hydrochloride IUPAC Name: 3-amino-4-[3-(dimethylamino)propanoyl]-7-fluoro-2H-isoquinolin-1-one hydrochloride Traditional Name: 3-amino-4-[3-(dimethylamino)propanoyl]-7-fluoro-isocarbostyril hydrochloride Formula: C14H17ClFN3O2 MolecularWeight: 313.755083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16FN3O2.ClH/c1-18(2)6-5-11(19)12-9-4-3-8(15)7-10(9)14(20)17-13(12)16;/h3-4,7H,5-6H2,1-2H3,(H3,16,17,20);1H