3-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C22H16FN3O3 MolecularWeight: 389.379143

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5N=N4)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5N=N4)F

InChI

InChI=1S/C22H16FN3O3/c23-17-10-15(12-26-21(27)18-8-4-5-9-19(18)24-25-26)20-16(11-17)13-28-22(29-20)14-6-2-1-3-7-14/h1-11,22H,12-13H2/t22-/m0/s1