2-[3-(3-bromanylphenoxy)-2-oxidanyl-propyl]-4-(4-fluorophenyl)phthalazin-1-one

Systemtic Name: 2-[3-(3-bromanylphenoxy)-2-oxidanyl-propyl]-4-(4-fluorophenyl)phthalazin-1-one Openeye Name: 2-[3-(3-bromophenoxy)-2-hydroxy-propyl]-4-(4-fluorophenyl)phthalazin-1-one CAS Name: 2-[3-(3-bromophenoxy)-2-hydroxypropyl]-4-(4-fluorophenyl)-1-phthalazinone IUPAC Name: 2-[3-(3-bromophenoxy)-2-hydroxypropyl]-4-(4-fluorophenyl)phthalazin-1-one Traditional Name: 2-[3-(3-bromophenoxy)-2-hydroxy-propyl]-4-(4-fluorophenyl)phthalazin-1-one Formula: C23H18BrFN2O3 MolecularWeight: 469.303023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(COC3=CC(=CC=C3)Br)O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(COC3=CC(=CC=C3)Br)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H18BrFN2O3/c24-16-4-3-5-19(12-16)30-14-18(28)13-27-23(29)21-7-2-1-6-20(21)22(26-27)15-8-10-17(25)11-9-15/h1-12,18,28H,13-14H2