[1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate

Systemtic Name: [1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H20FN3O4 MolecularWeight: 409.410303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3)F

InChI

InChI=1S/C22H20FN3O4/c1-14-8-9-17(12-18(14)23)24-21(28)15(2)30-22(29)19-10-11-20(27)26(25-19)13-16-6-4-3-5-7-16/h3-12,15H,13H2,1-2H3,(H,24,28)