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

Systemtic Name: 3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]-N-(pyridin-2-ylmethyl)propanamide Openeye Name: 3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]-N-(2-pyridylmethyl)propanamide CAS Name: 3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]-N-(2-pyridinylmethyl)propanamide IUPAC Name: 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(pyridin-2-ylmethyl)propanamide Traditional Name: 3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-(2-pyridylmethyl)propionamide Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C20H20N4O3/c25-18(23-13-16-6-3-4-10-21-16)8-11-22-19(26)14-24-12-9-15-5-1-2-7-17(15)20(24)27/h1-7,9-10,12H,8,11,13-14H2,(H,22,26)(H,23,25)