N-tert-butyl-2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxy-ethanamide

Systemtic Name: N-tert-butyl-2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxy-ethanamide Openeye Name: 2-[(2-allyl-1-oxo-5-isoquinolyl)oxy]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[(1-oxo-2-prop-2-enyl-5-isoquinolinyl)oxy]acetamide IUPAC Name: N-tert-butyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide Traditional Name: 2-[(2-allyl-1-keto-5-isoquinolyl)oxy]-N-tert-butyl-acetamide Formula: C18H22N2O3 MolecularWeight: 314.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC=C

Isomeric SMILES

CC(C)(C)NC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC=C

InChI

InChI=1S/C18H22N2O3/c1-5-10-20-11-9-13-14(17(20)22)7-6-8-15(13)23-12-16(21)19-18(2,3)4/h5-9,11H,1,10,12H2,2-4H3,(H,19,21)