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

Systemtic Name: 2-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]-4-(4-fluorophenyl)phthalazin-1-one Openeye Name: 2-[3-(4-fluorophenoxy)-2-hydroxy-propyl]-4-(4-fluorophenyl)phthalazin-1-one CAS Name: 2-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(4-fluorophenyl)-1-phthalazinone IUPAC Name: 2-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(4-fluorophenyl)phthalazin-1-one Traditional Name: 2-[3-(4-fluorophenoxy)-2-hydroxy-propyl]-4-(4-fluorophenyl)phthalazin-1-one Formula: C23H18F2N2O3 MolecularWeight: 408.397426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18F2N2O3/c24-16-7-5-15(6-8-16)22-20-3-1-2-4-21(20)23(29)27(26-22)13-18(28)14-30-19-11-9-17(25)10-12-19/h1-12,18,28H,13-14H2