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

Systemtic Name: 3-azanyl-7-chloranyl-4-[2-(dimethylamino)ethanoyl]-2H-isoquinolin-1-one Openeye Name: 3-amino-7-chloro-4-[2-(dimethylamino)acetyl]-2H-isoquinolin-1-one CAS Name: 3-amino-7-chloro-4-[2-(dimethylamino)-1-oxoethyl]-2H-isoquinolin-1-one IUPAC Name: 3-amino-7-chloro-4-[2-(dimethylamino)acetyl]-2H-isoquinolin-1-one Traditional Name: 3-amino-7-chloro-4-[2-(dimethylamino)acetyl]isocarbostyril Formula: C13H14ClN3O2 MolecularWeight: 279.72216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O2/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)