3-ethyl-N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-1-oxidanylidene-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: 3-ethyl-N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-1-oxidanylidene-3,4-dihydroisochromene-6-carboxamide Openeye Name: 3-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxo-isochromane-6-carboxamide CAS Name: 3-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: 3-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxo-3,4-dihydroisochromene-6-carboxamide Traditional Name: 3-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-keto-isochroman-6-carboxamide Formula: C22H21FN2O3 MolecularWeight: 380.412143

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C=CC(=C2)C(=O)NCCC3=CNC4=C3C=C(C=C4)F)C(=O)O1

Isomeric SMILES

CCC1CC2=C(C=CC(=C2)C(=O)NCCC3=CNC4=C3C=C(C=C4)F)C(=O)O1

InChI

InChI=1S/C22H21FN2O3/c1-2-17-10-15-9-13(3-5-18(15)22(27)28-17)21(26)24-8-7-14-12-25-20-6-4-16(23)11-19(14)20/h3-6,9,11-12,17,25H,2,7-8,10H2,1H3,(H,24,26)