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

Systemtic Name: ethyl 1-[1-(4-fluorophenyl)-4-methoxy-6-oxidanylidene-pyridazin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(4-fluorophenyl)-4-methoxy-6-oxo-pyridazine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(4-fluorophenyl)-4-methoxy-6-oxo-3-pyridazinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-fluorophenyl)-6-keto-4-methoxy-pyridazine-3-carbonyl]isonipecotic acid ethyl ester Formula: C20H22FN3O5 MolecularWeight: 403.404183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C(=O)C=C2OC)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C(=O)C=C2OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O5/c1-3-29-20(27)13-8-10-23(11-9-13)19(26)18-16(28-2)12-17(25)24(22-18)15-6-4-14(21)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3