3-[[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]methyl]-1H-pyridazin-6-one

Systemtic Name: 3-[[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]methyl]-1H-pyridazin-6-one Openeye Name: 3-[[7-(3,5-dimethylphenoxy)benzofuran-5-yl]methyl]-1H-pyridazin-6-one CAS Name: 3-[[7-(3,5-dimethylphenoxy)-5-benzofuranyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]methyl]-1H-pyridazin-6-one Traditional Name: 3-[[7-(3,5-dimethylphenoxy)benzofuran-5-yl]methyl]-1H-pyridazin-6-one Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C3C(=CC(=C2)CC4=NNC(=O)C=C4)C=CO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C3C(=CC(=C2)CC4=NNC(=O)C=C4)C=CO3)C

InChI

InChI=1S/C21H18N2O3/c1-13-7-14(2)9-18(8-13)26-19-12-15(10-16-5-6-25-21(16)19)11-17-3-4-20(24)23-22-17/h3-10,12H,11H2,1-2H3,(H,23,24)