3-azanyl-4-(2-piperidin-1-ylethanoyl)-2H-isoquinolin-1-one

Systemtic Name: 3-azanyl-4-(2-piperidin-1-ylethanoyl)-2H-isoquinolin-1-one Openeye Name: 3-amino-4-[2-(1-piperidyl)acetyl]-2H-isoquinolin-1-one CAS Name: 3-amino-4-[1-oxo-2-(1-piperidinyl)ethyl]-2H-isoquinolin-1-one IUPAC Name: 3-amino-4-(2-piperidin-1-ylacetyl)-2H-isoquinolin-1-one Traditional Name: 3-amino-4-(2-piperidinoacetyl)isocarbostyril Formula: C16H19N3O2 MolecularWeight: 285.34096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(=O)C2=C(NC(=O)C3=CC=CC=C32)N

Isomeric SMILES

C1CCN(CC1)CC(=O)C2=C(NC(=O)C3=CC=CC=C32)N

InChI

InChI=1S/C16H19N3O2/c17-15-14(13(20)10-19-8-4-1-5-9-19)11-6-2-3-7-12(11)16(21)18-15/h2-3,6-7H,1,4-5,8-10H2,(H3,17,18,21)