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

Systemtic Name: 2-[3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[3-(3-acetylphenoxy)-2-hydroxy-propyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[3-(3-acetylphenoxy)-2-hydroxypropyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[3-(3-acetylphenoxy)-2-hydroxypropyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[3-(3-acetylphenoxy)-2-hydroxy-propyl]-4-(p-tolyl)phthalazin-1-one Formula: C26H24N2O4 MolecularWeight: 428.47976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=CC=CC(=C4)C(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=CC=CC(=C4)C(=O)C)O

InChI

InChI=1S/C26H24N2O4/c1-17-10-12-19(13-11-17)25-23-8-3-4-9-24(23)26(31)28(27-25)15-21(30)16-32-22-7-5-6-20(14-22)18(2)29/h3-14,21,30H,15-16H2,1-2H3