2-[3-(3-chlorophenyl)propyl]-6-(4-fluoranyl-3-methyl-phenyl)-3-oxidanylidene-pyridazine-4-carboxylic acid

Systemtic Name: 2-[3-(3-chlorophenyl)propyl]-6-(4-fluoranyl-3-methyl-phenyl)-3-oxidanylidene-pyridazine-4-carboxylic acid Openeye Name: 2-[3-(3-chlorophenyl)propyl]-6-(4-fluoro-3-methyl-phenyl)-3-oxo-pyridazine-4-carboxylic acid CAS Name: 2-[3-(3-chlorophenyl)propyl]-6-(4-fluoro-3-methylphenyl)-3-oxo-4-pyridazinecarboxylic acid IUPAC Name: 2-[3-(3-chlorophenyl)propyl]-6-(4-fluoro-3-methylphenyl)-3-oxopyridazine-4-carboxylic acid Traditional Name: 2-[3-(3-chlorophenyl)propyl]-6-(4-fluoro-3-methyl-phenyl)-3-keto-pyridazine-4-carboxylic acid Formula: C21H18ClFN2O3 MolecularWeight: 400.830623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)C(=O)O)CCCC3=CC(=CC=C3)Cl)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)C(=O)O)CCCC3=CC(=CC=C3)Cl)F

InChI

InChI=1S/C21H18ClFN2O3/c1-13-10-15(7-8-18(13)23)19-12-17(21(27)28)20(26)25(24-19)9-3-5-14-4-2-6-16(22)11-14/h2,4,6-8,10-12H,3,5,9H2,1H3,(H,27,28)