2-(2-methylpropyl)-3-oxidanylidene-6-(4-phenylphenyl)pyridazine-4-carboxylic acid

Systemtic Name: 2-(2-methylpropyl)-3-oxidanylidene-6-(4-phenylphenyl)pyridazine-4-carboxylic acid Openeye Name: 2-isobutyl-3-oxo-6-(4-phenylphenyl)pyridazine-4-carboxylic acid CAS Name: 2-(2-methylpropyl)-3-oxo-6-(4-phenylphenyl)-4-pyridazinecarboxylic acid IUPAC Name: 2-(2-methylpropyl)-3-oxo-6-(4-phenylphenyl)pyridazine-4-carboxylic acid Traditional Name: 2-isobutyl-3-keto-6-(4-phenylphenyl)pyridazine-4-carboxylic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H20N2O3/c1-14(2)13-23-20(24)18(21(25)26)12-19(22-23)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H,25,26)