N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2-fluoro-benzamide CAS Name: N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-fluorobenzamide IUPAC Name: N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-fluorobenzamide Traditional Name: N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-2-fluoro-benzamide Formula: C22H25FN2O4 MolecularWeight: 400.443303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CNC(=O)C3=CC=CC=C3F)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CNC(=O)C3=CC=CC=C3F)OCC

InChI

InChI=1S/C22H25FN2O4/c1-3-28-19-11-15-9-10-25(14-16(15)12-20(19)29-4-2)21(26)13-24-22(27)17-7-5-6-8-18(17)23/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H,24,27)