4-(2,5-dimethylphenyl)-2-[3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]phthalazin-1-one Openeye Name: 2-[3-(3-acetylphenoxy)-2-hydroxy-propyl]-4-(2,5-dimethylphenyl)phthalazin-1-one CAS Name: 2-[3-(3-acetylphenoxy)-2-hydroxypropyl]-4-(2,5-dimethylphenyl)-1-phthalazinone IUPAC Name: 2-[3-(3-acetylphenoxy)-2-hydroxypropyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Traditional Name: 2-[3-(3-acetylphenoxy)-2-hydroxy-propyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O4/c1-17-11-12-18(2)25(13-17)26-23-9-4-5-10-24(23)27(32)29(28-26)15-21(31)16-33-22-8-6-7-20(14-22)19(3)30/h4-14,21,31H,15-16H2,1-3H3