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

Systemtic Name: N-butan-2-yl-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: 3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]-N-sec-butyl-propanamide CAS Name: N-butan-2-yl-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-butan-2-yl-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: 3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-sec-butyl-propionamide Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCNC(=O)CN1C=CC2=CC=CC=C2C1=O

Isomeric SMILES

CCC(C)NC(=O)CCNC(=O)CN1C=CC2=CC=CC=C2C1=O

InChI

InChI=1S/C18H23N3O3/c1-3-13(2)20-16(22)8-10-19-17(23)12-21-11-9-14-6-4-5-7-15(14)18(21)24/h4-7,9,11,13H,3,8,10,12H2,1-2H3,(H,19,23)(H,20,22)