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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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