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

Systemtic Name: 2-[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-4-(4-fluorophenyl)phthalazin-1-one Openeye Name: 2-[3-(4-acetylphenoxy)-2-hydroxy-propyl]-4-(4-fluorophenyl)phthalazin-1-one CAS Name: 2-[3-(4-acetylphenoxy)-2-hydroxypropyl]-4-(4-fluorophenyl)-1-phthalazinone IUPAC Name: 2-[3-(4-acetylphenoxy)-2-hydroxypropyl]-4-(4-fluorophenyl)phthalazin-1-one Traditional Name: 2-[3-(4-acetylphenoxy)-2-hydroxy-propyl]-4-(4-fluorophenyl)phthalazin-1-one Formula: C25H21FN2O4 MolecularWeight: 432.443643

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)F)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C25H21FN2O4/c1-16(29)17-8-12-21(13-9-17)32-15-20(30)14-28-25(31)23-5-3-2-4-22(23)24(27-28)18-6-10-19(26)11-7-18/h2-13,20,30H,14-15H2,1H3