2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)phthalazin-1-one

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)phthalazin-1-one Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)phthalazin-1-one CAS Name: 2-[2-(4-bromophenyl)-2-oxoethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phthalazinone IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)phthalazin-1-one Traditional Name: 2-[2-(4-bromophenyl)-2-keto-ethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)phthalazin-1-one Formula: C24H17BrN2O4 MolecularWeight: 477.30678

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C(=O)C4=CC=CC=C43)CC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C(=O)C4=CC=CC=C43)CC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C24H17BrN2O4/c25-17-8-5-15(6-9-17)20(28)14-27-24(29)19-4-2-1-3-18(19)23(26-27)16-7-10-21-22(13-16)31-12-11-30-21/h1-10,13H,11-12,14H2