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

Systemtic Name: ethyl 4-(2-cyclohexylethanoylamino)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(2-cyclohexylacetyl)amino]-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[(2-cyclohexyl-1-oxoethyl)amino]-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-cyclohexylacetyl)amino]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[(2-cyclohexylacetyl)amino]-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CC2CCCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CC2CCCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O4/c1-2-29-21(28)20-17(23-18(26)12-14-6-4-3-5-7-14)13-19(27)25(24-20)16-10-8-15(22)9-11-16/h8-11,13-14H,2-7,12H2,1H3,(H,23,26)