2-[1-(2-fluoranyl-5-methoxy-phenyl)carbonyl-6,7-dimethoxy-isoquinolin-4-yl]ethanamide

Systemtic Name: 2-[1-(2-fluoranyl-5-methoxy-phenyl)carbonyl-6,7-dimethoxy-isoquinolin-4-yl]ethanamide Openeye Name: 2-[1-(2-fluoro-5-methoxy-benzoyl)-6,7-dimethoxy-4-isoquinolyl]acetamide CAS Name: 2-[1-[(2-fluoro-5-methoxyphenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinyl]acetamide IUPAC Name: 2-[1-(2-fluoro-5-methoxybenzoyl)-6,7-dimethoxyisoquinolin-4-yl]acetamide Traditional Name: 2-[1-(2-fluoro-5-methoxy-benzoyl)-6,7-dimethoxy-4-isoquinolyl]acetamide Formula: C21H19FN2O5 MolecularWeight: 398.384363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CC(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)F)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CC(=O)N

InChI

InChI=1S/C21H19FN2O5/c1-27-12-4-5-16(22)15(7-12)21(26)20-14-9-18(29-3)17(28-2)8-13(14)11(10-24-20)6-19(23)25/h4-5,7-10H,6H2,1-3H3,(H2,23,25)