8-acetamido-2-ethyl-5-(5-fluoranyl-2-methoxy-phenyl)-N-oxidanyl-3,4-dihydro-1H-isoquinoline-7-carboxamide

Systemtic Name: 8-acetamido-2-ethyl-5-(5-fluoranyl-2-methoxy-phenyl)-N-oxidanyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Openeye Name: N-[2-ethyl-5-(5-fluoro-2-methoxy-phenyl)-7-(hydroxycarbamoyl)-3,4-dihydro-1H-isoquinolin-8-yl]acetamide CAS Name: 8-acetamido-2-ethyl-5-(5-fluoro-2-methoxyphenyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide IUPAC Name: 8-acetamido-2-ethyl-5-(5-fluoro-2-methoxyphenyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide Traditional Name: N-[2-ethyl-5-(5-fluoro-2-methoxy-phenyl)-7-(hydroxycarbamoyl)-3,4-dihydro-1H-isoquinolin-8-yl]acetamide Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)C(=C(C=C2C3=C(C=CC(=C3)F)OC)C(=O)NO)NC(=O)C

Isomeric SMILES

CCN1CCC2=C(C1)C(=C(C=C2C3=C(C=CC(=C3)F)OC)C(=O)NO)NC(=O)C

InChI

InChI=1S/C21H24FN3O4/c1-4-25-8-7-14-15(16-9-13(22)5-6-19(16)29-3)10-17(21(27)24-28)20(18(14)11-25)23-12(2)26/h5-6,9-10,28H,4,7-8,11H2,1-3H3,(H,23,26)(H,24,27)