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

Systemtic Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-fluoro-benzamide CAS Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-fluorobenzamide IUPAC Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-fluorobenzamide Traditional Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-fluoro-benzamide Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CNC(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CNC(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C20H21FN2O4/c1-26-17-9-14-7-8-23(12-15(14)10-18(17)27-2)19(24)11-22-20(25)13-3-5-16(21)6-4-13/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,25)