ethyl 4-(2-ethylbutanoylamino)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-(2-ethylbutanoylamino)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(2-ethylbutanoylamino)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[(2-ethyl-1-oxobutyl)amino]-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-ethylbutanoylamino)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(2-ethylbutanoylamino)-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C19H22FN3O4 MolecularWeight: 375.394083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC(=O)N(N=C1C(=O)OCC)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(CC)C(=O)NC1=CC(=O)N(N=C1C(=O)OCC)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H22FN3O4/c1-4-12(5-2)18(25)21-15-11-16(24)23(14-9-7-13(20)8-10-14)22-17(15)19(26)27-6-3/h7-12H,4-6H2,1-3H3,(H,21,25)