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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-6-oxidanylidene-pyridazin-1-yl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[3-(1,3-benzodioxol-5-yl)-6-oxo-pyridazin-1-yl]acetamide CAS Name: N-(4-acetylphenyl)-2-[3-(1,3-benzodioxol-5-yl)-6-oxo-1-pyridazinyl]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[3-(1,3-benzodioxol-5-yl)-6-keto-pyridazin-1-yl]acetamide Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O5/c1-13(25)14-2-5-16(6-3-14)22-20(26)11-24-21(27)9-7-17(23-24)15-4-8-18-19(10-15)29-12-28-18/h2-10H,11-12H2,1H3,(H,22,26)