2-(2,5-dimethylphenyl)-N-[2-(oxan-4-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(2,5-dimethylphenyl)-N-[2-(oxan-4-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(2,5-dimethylphenyl)-N-[1-oxo-2-(tetrahydropyran-4-ylmethyl)-5-isoquinolyl]acetamide CAS Name: 2-(2,5-dimethylphenyl)-N-[2-(4-oxanylmethyl)-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(2,5-dimethylphenyl)-N-[2-(oxan-4-ylmethyl)-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(2,5-dimethylphenyl)-N-[1-keto-2-(tetrahydropyran-4-ylmethyl)-5-isoquinolyl]acetamide Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4CCOCC4

InChI

InChI=1S/C25H28N2O3/c1-17-6-7-18(2)20(14-17)15-24(28)26-23-5-3-4-22-21(23)8-11-27(25(22)29)16-19-9-12-30-13-10-19/h3-8,11,14,19H,9-10,12-13,15-16H2,1-2H3,(H,26,28)