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

Systemtic Name: 1-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]cinnolin-4-one Openeye Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]cinnolin-4-one CAS Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-4-cinnolinone IUPAC Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]cinnolin-4-one Traditional Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]cinnolin-4-one Formula: C23H17FN2O3 MolecularWeight: 388.391083

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CN4C5=CC=CC=C5C(=O)C=N4)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)CN4C5=CC=CC=C5C(=O)C=N4)F

InChI

InChI=1S/C23H17FN2O3/c24-18-10-16(13-26-20-9-5-4-8-19(20)21(27)12-25-26)22-17(11-18)14-28-23(29-22)15-6-2-1-3-7-15/h1-12,23H,13-14H2/t23-/m0/s1