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

Systemtic Name: 6-(3-fluoranyl-4-methoxy-phenyl)-2-[3-(4-fluorophenyl)propyl]-3-oxidanylidene-pyridazine-4-carboxylic acid Openeye Name: 6-(3-fluoro-4-methoxy-phenyl)-2-[3-(4-fluorophenyl)propyl]-3-oxo-pyridazine-4-carboxylic acid CAS Name: 6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-3-oxo-4-pyridazinecarboxylic acid IUPAC Name: 6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-3-oxopyridazine-4-carboxylic acid Traditional Name: 6-(3-fluoro-4-methoxy-phenyl)-2-[3-(4-fluorophenyl)propyl]-3-keto-pyridazine-4-carboxylic acid Formula: C21H18F2N2O4 MolecularWeight: 400.375426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)C(=O)O)CCCC3=CC=C(C=C3)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)C(=O)O)CCCC3=CC=C(C=C3)F)F

InChI

InChI=1S/C21H18F2N2O4/c1-29-19-9-6-14(11-17(19)23)18-12-16(21(27)28)20(26)25(24-18)10-2-3-13-4-7-15(22)8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,27,28)