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

Systemtic Name: 3-[[7-(3-methoxyphenyl)carbonyl-1-benzofuran-5-yl]methyl]-1H-pyridazin-6-one Openeye Name: 3-[[7-(3-methoxybenzoyl)benzofuran-5-yl]methyl]-1H-pyridazin-6-one CAS Name: 3-[[7-[(3-methoxyphenyl)-oxomethyl]-5-benzofuranyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[[7-(3-methoxybenzoyl)-1-benzofuran-5-yl]methyl]-1H-pyridazin-6-one Traditional Name: 3-[(7-m-anisoylbenzofuran-5-yl)methyl]-1H-pyridazin-6-one Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2=C3C(=CC(=C2)CC4=NNC(=O)C=C4)C=CO3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2=C3C(=CC(=C2)CC4=NNC(=O)C=C4)C=CO3

InChI

InChI=1S/C21H16N2O4/c1-26-17-4-2-3-14(12-17)20(25)18-11-13(9-15-7-8-27-21(15)18)10-16-5-6-19(24)23-22-16/h2-9,11-12H,10H2,1H3,(H,23,24)