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

Systemtic Name: methyl 6-(3-fluoranyl-4-methoxy-phenyl)-2-[3-(4-fluorophenyl)propyl]-3-oxidanylidene-pyridazine-4-carboxylate Openeye Name: methyl 6-(3-fluoro-4-methoxy-phenyl)-2-[3-(4-fluorophenyl)propyl]-3-oxo-pyridazine-4-carboxylate CAS Name: 6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-3-oxo-4-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-3-oxopyridazine-4-carboxylate Traditional Name: 6-(3-fluoro-4-methoxy-phenyl)-2-[3-(4-fluorophenyl)propyl]-3-keto-pyridazine-4-carboxylic acid methyl ester Formula: C22H20F2N2O4 MolecularWeight: 414.402006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20F2N2O4/c1-29-20-10-7-15(12-18(20)24)19-13-17(22(28)30-2)21(27)26(25-19)11-3-4-14-5-8-16(23)9-6-14/h5-10,12-13H,3-4,11H2,1-2H3