ethyl 4-(4-ethoxycarbonylpiperidin-1-yl)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-(4-ethoxycarbonylpiperidin-1-yl)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(4-ethoxycarbonyl-1-piperidyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-(4-ethoxycarbonyl-1-piperidinyl)-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxycarbonylpiperidin-1-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(4-carbethoxypiperidino)-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C21H24FN3O5 MolecularWeight: 417.430763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC(=O)N(N=C2C(=O)OCC)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC(=O)N(N=C2C(=O)OCC)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O5/c1-3-29-20(27)14-9-11-24(12-10-14)17-13-18(26)25(16-7-5-15(22)6-8-16)23-19(17)21(28)30-4-2/h5-8,13-14H,3-4,9-12H2,1-2H3