3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]-N-pyridin-3-yl-propanamide

Systemtic Name: 3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]-N-pyridin-3-yl-propanamide Openeye Name: 3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]-N-(3-pyridyl)propanamide CAS Name: 3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]-N-(3-pyridinyl)propanamide IUPAC Name: 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-pyridin-3-ylpropanamide Traditional Name: 3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-(3-pyridyl)propionamide Formula: C19H18N4O3 MolecularWeight: 350.37122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C19H18N4O3/c24-17(22-15-5-3-9-20-12-15)7-10-21-18(25)13-23-11-8-14-4-1-2-6-16(14)19(23)26/h1-6,8-9,11-12H,7,10,13H2,(H,21,25)(H,22,24)