methyl 3-[[1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]carbonylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[[1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]carbonylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-4-fluoro-benzoate CAS Name: 3-[[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-3-yl]-oxomethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-4-fluorobenzoate Traditional Name: 3-[[1-(2,5-dimethylphenyl)-6-keto-4,5-dihydropyridazine-3-carbonyl]amino]-4-fluoro-benzoic acid methyl ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F

InChI

InChI=1S/C21H20FN3O4/c1-12-4-5-13(2)18(10-12)25-19(26)9-8-16(24-25)20(27)23-17-11-14(21(28)29-3)6-7-15(17)22/h4-7,10-11H,8-9H2,1-3H3,(H,23,27)