2-[3-(1,3-benzodioxol-5-yl)-6-oxidanylidene-pyridazin-1-yl]-N-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-6-oxidanylidene-pyridazin-1-yl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-6-oxo-pyridazin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-6-oxo-1-pyridazinyl]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)-6-keto-pyridazin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H19N3O6/c1-27-16-7-4-14(10-18(16)28-2)22-20(25)11-24-21(26)8-5-15(23-24)13-3-6-17-19(9-13)30-12-29-17/h3-10H,11-12H2,1-2H3,(H,22,25)