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

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[3-[(4-methoxyphenyl)methoxy]-2-oxidanyl-propyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-(2-hydroxy-3-p-anisyloxy-propyl)phthalazin-1-one Formula: C27H28N2O4 MolecularWeight: 444.52222

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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(COCC4=CC=C(C=C4)OC)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(COCC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C27H28N2O4/c1-18-8-9-19(2)25(14-18)26-23-6-4-5-7-24(23)27(31)29(28-26)15-21(30)17-33-16-20-10-12-22(32-3)13-11-20/h4-14,21,30H,15-17H2,1-3H3