4-(2-pyridin-3-ylethyl)-2H-isoquinolin-1-one

Systemtic Name: 4-(2-pyridin-3-ylethyl)-2H-isoquinolin-1-one Openeye Name: 4-[2-(3-pyridyl)ethyl]-2H-isoquinolin-1-one CAS Name: 4-[2-(3-pyridinyl)ethyl]-2H-isoquinolin-1-one IUPAC Name: 4-(2-pyridin-3-ylethyl)-2H-isoquinolin-1-one Traditional Name: 4-[2-(3-pyridyl)ethyl]isocarbostyril Formula: C16H14N2O MolecularWeight: 250.29516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC2=O)CCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNC2=O)CCC3=CN=CC=C3

InChI

InChI=1S/C16H14N2O/c19-16-15-6-2-1-5-14(15)13(11-18-16)8-7-12-4-3-9-17-10-12/h1-6,9-11H,7-8H2,(H,18,19)