6-fluoranyl-N-[3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl]-4H-1,3-benzodioxine-8-carboxamide

Systemtic Name: 6-fluoranyl-N-[3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl]-4H-1,3-benzodioxine-8-carboxamide Openeye Name: 6-fluoro-N-[3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl]-4H-1,3-benzodioxine-8-carboxamide CAS Name: 6-fluoro-N-[3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl]-4H-1,3-benzodioxin-8-carboxamide IUPAC Name: 6-fluoro-N-[3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl]-4H-1,3-benzodioxine-8-carboxamide Traditional Name: 6-fluoro-N-[3-[(1-keto-2H-isoquinolin-4-yl)methyl]phenyl]-4H-1,3-benzodioxin-8-carboxamide Formula: C25H19FN2O4 MolecularWeight: 430.427763

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)F)C(=O)NC3=CC=CC(=C3)CC4=CNC(=O)C5=CC=CC=C54)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)F)C(=O)NC3=CC=CC(=C3)CC4=CNC(=O)C5=CC=CC=C54)OCO1

InChI

InChI=1S/C25H19FN2O4/c26-18-10-17-13-31-14-32-23(17)22(11-18)25(30)28-19-5-3-4-15(9-19)8-16-12-27-24(29)21-7-2-1-6-20(16)21/h1-7,9-12H,8,13-14H2,(H,27,29)(H,28,30)