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

Systemtic Name: 2-[3-(3-acetamido-4-methyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[3-(3-acetamido-4-methyl-phenyl)-6-oxo-pyridazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[3-(3-acetamido-4-methylphenyl)-6-oxo-1-pyridazinyl]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[3-(3-acetamido-4-methyl-phenyl)-6-keto-pyridazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC4=C(C=C3)OCO4)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC4=C(C=C3)OCO4)NC(=O)C

InChI

InChI=1S/C22H20N4O5/c1-13-3-4-15(9-18(13)23-14(2)27)17-6-8-22(29)26(25-17)11-21(28)24-16-5-7-19-20(10-16)31-12-30-19/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,28)