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

Systemtic Name: 2-[2-(4-chlorophenyl)ethyl]-6-(4-fluoranyl-3-methyl-phenyl)-3-oxidanylidene-pyridazine-4-carboxylic acid Openeye Name: 2-[2-(4-chlorophenyl)ethyl]-6-(4-fluoro-3-methyl-phenyl)-3-oxo-pyridazine-4-carboxylic acid CAS Name: 2-[2-(4-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-3-oxo-4-pyridazinecarboxylic acid IUPAC Name: 2-[2-(4-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-3-oxopyridazine-4-carboxylic acid Traditional Name: 2-[2-(4-chlorophenyl)ethyl]-6-(4-fluoro-3-methyl-phenyl)-3-keto-pyridazine-4-carboxylic acid Formula: C20H16ClFN2O3 MolecularWeight: 386.804043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)C(=O)O)CCC3=CC=C(C=C3)Cl)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)C(=O)O)CCC3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C20H16ClFN2O3/c1-12-10-14(4-7-17(12)22)18-11-16(20(26)27)19(25)24(23-18)9-8-13-2-5-15(21)6-3-13/h2-7,10-11H,8-9H2,1H3,(H,26,27)