4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-fluoro-benzyl]-2H-phthalazin-1-one Formula: C24H19FN2O3 MolecularWeight: 402.417663

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F)OC1

InChI

InChI=1S/C24H19FN2O3/c25-20-8-6-15(13-21-17-4-1-2-5-18(17)24(28)27-26-21)12-19(20)16-7-9-22-23(14-16)30-11-3-10-29-22/h1-2,4-9,12,14H,3,10-11,13H2,(H,27,28)