ethyl 1-[1-(2-fluorophenyl)-6-methyl-4-oxidanylidene-pyridazin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(2-fluorophenyl)-6-methyl-4-oxidanylidene-pyridazin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(2-fluorophenyl)-6-methyl-4-oxo-pyridazine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(2-fluorophenyl)-6-methyl-4-oxo-3-pyridazinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(2-fluorophenyl)-4-keto-6-methyl-pyridazine-3-carbonyl]isonipecotic acid ethyl ester Formula: C20H22FN3O4 MolecularWeight: 387.404783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3F

InChI

InChI=1S/C20H22FN3O4/c1-3-28-20(27)14-8-10-23(11-9-14)19(26)18-17(25)12-13(2)24(22-18)16-7-5-4-6-15(16)21/h4-7,12,14H,3,8-11H2,1-2H3