N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-keto-isochroman-3-carboxamide Formula: C20H21FN2O3 MolecularWeight: 356.390743

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1CC2=CC=CC=C2C(=O)O1)C3=CC(=CC=C3)F

Isomeric SMILES

CN(C)C(CNC(=O)C1CC2=CC=CC=C2C(=O)O1)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H21FN2O3/c1-23(2)17(14-7-5-8-15(21)10-14)12-22-19(24)18-11-13-6-3-4-9-16(13)20(25)26-18/h3-10,17-18H,11-12H2,1-2H3,(H,22,24)