N-(3,5-dimethylphenyl)-2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxy-ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxy-ethanamide Openeye Name: 2-[(2-allyl-1-oxo-5-isoquinolyl)oxy]-N-(3,5-dimethylphenyl)acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[(1-oxo-2-prop-2-enyl-5-isoquinolinyl)oxy]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide Traditional Name: 2-[(2-allyl-1-keto-5-isoquinolyl)oxy]-N-(3,5-dimethylphenyl)acetamide Formula: C22H22N2O3 MolecularWeight: 362.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC2=CC=CC3=C2C=CN(C3=O)CC=C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC2=CC=CC3=C2C=CN(C3=O)CC=C)C

InChI

InChI=1S/C22H22N2O3/c1-4-9-24-10-8-18-19(22(24)26)6-5-7-20(18)27-14-21(25)23-17-12-15(2)11-16(3)13-17/h4-8,10-13H,1,9,14H2,2-3H3,(H,23,25)