6-(1,3-benzodioxol-5-yl)-2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]pyridazin-3-one

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]pyridazin-3-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]pyridazin-3-one CAS Name: 6-(1,3-benzodioxol-5-yl)-2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-pyridazinone IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyridazin-3-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-[2-(2,4-dimethylphenyl)-2-keto-ethyl]pyridazin-3-one Formula: C21H18N2O4 MolecularWeight: 362.37862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CN2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CN2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H18N2O4/c1-13-3-5-16(14(2)9-13)18(24)11-23-21(25)8-6-17(22-23)15-4-7-19-20(10-15)27-12-26-19/h3-10H,11-12H2,1-2H3