1-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)-3-[3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl]urea

Systemtic Name: 1-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)-3-[3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl]urea Openeye Name: 1-(6-fluoro-4H-1,3-benzodioxin-8-yl)-3-[3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl]urea CAS Name: 1-(6-fluoro-4H-1,3-benzodioxin-8-yl)-3-[3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl]urea IUPAC Name: 1-(6-fluoro-4H-1,3-benzodioxin-8-yl)-3-[3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl]urea Traditional Name: 1-(6-fluoro-4H-1,3-benzodioxin-8-yl)-3-[3-[(1-keto-2H-isoquinolin-4-yl)methyl]phenyl]urea Formula: C25H20FN3O4 MolecularWeight: 445.442403

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)NC(=O)NC3=CC=CC(=C3)CC4=CNC(=O)C5=CC=CC=C54)F

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)NC(=O)NC3=CC=CC(=C3)CC4=CNC(=O)C5=CC=CC=C54)F

InChI

InChI=1S/C25H20FN3O4/c26-18-10-17-13-32-14-33-23(17)22(11-18)29-25(31)28-19-5-3-4-15(9-19)8-16-12-27-24(30)21-7-2-1-6-20(16)21/h1-7,9-12H,8,13-14H2,(H,27,30)(H2,28,29,31)