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

Systemtic Name: 3-azanyl-4-[2-(dimethylamino)ethanoyl]-2H-isoquinolin-1-one hydrate hydrochloride Openeye Name: 3-amino-4-[2-(dimethylamino)acetyl]-2H-isoquinolin-1-one hydrate hydrochloride CAS Name: 3-amino-4-[2-(dimethylamino)-1-oxoethyl]-2H-isoquinolin-1-one hydrate hydrochloride IUPAC Name: 3-amino-4-[2-(dimethylamino)acetyl]-2H-isoquinolin-1-one hydrate hydrochloride Traditional Name: 3-amino-4-[2-(dimethylamino)acetyl]isocarbostyril hydrate hydrochloride Formula: C13H18ClN3O3 MolecularWeight: 299.75332

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=O)C1=C(NC(=O)C2=CC=CC=C21)N.O.Cl

Isomeric SMILES

CN(C)CC(=O)C1=C(NC(=O)C2=CC=CC=C21)N.O.Cl

InChI

InChI=1S/C13H15N3O2.ClH.H2O/c1-16(2)7-10(17)11-8-5-3-4-6-9(8)13(18)15-12(11)14;;/h3-6H,7H2,1-2H3,(H3,14,15,18);1H;1H2