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

Systemtic Name: 2-[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[3-(4-acetylphenoxy)-2-hydroxy-propyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[3-(4-acetylphenoxy)-2-hydroxypropyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[3-(4-acetylphenoxy)-2-hydroxypropyl]-4-phenylphthalazin-1-one Traditional Name: 2-[3-(4-acetylphenoxy)-2-hydroxy-propyl]-4-phenyl-phthalazin-1-one Formula: C25H22N2O4 MolecularWeight: 414.45318

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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=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4/c1-17(28)18-11-13-21(14-12-18)31-16-20(29)15-27-25(30)23-10-6-5-9-22(23)24(26-27)19-7-3-2-4-8-19/h2-14,20,29H,15-16H2,1H3