2-[3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-[3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-4-(p-tolyl)phthalazin-1-one Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3/c1-17-9-12-20(13-10-17)25-22-6-4-5-7-23(22)26(30)28(27-25)15-21(29)16-31-24-14-18(2)8-11-19(24)3/h4-14,21,29H,15-16H2,1-3H3