ethyl 4-[(3,4-dimethylphenyl)carbonylamino]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[(3,4-dimethylphenyl)carbonylamino]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(3,4-dimethylbenzoyl)amino]-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[[(3,4-dimethylphenyl)-oxomethyl]amino]-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3,4-dimethylbenzoyl)amino]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[(3,4-dimethylbenzoyl)amino]-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C22H20FN3O4 MolecularWeight: 409.410303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FN3O4/c1-4-30-22(29)20-18(24-21(28)15-6-5-13(2)14(3)11-15)12-19(27)26(25-20)17-9-7-16(23)8-10-17/h5-12H,4H2,1-3H3,(H,24,28)