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

Systemtic Name: ethyl 1-[4-methoxy-1-(4-methylphenyl)-6-oxidanylidene-pyridazin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-methoxy-6-oxo-1-(p-tolyl)pyridazine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[4-methoxy-1-(4-methylphenyl)-6-oxo-3-pyridazinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[6-keto-4-methoxy-1-(p-tolyl)pyridazine-3-carbonyl]isonipecotic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-4-29-21(27)15-9-11-23(12-10-15)20(26)19-17(28-3)13-18(25)24(22-19)16-7-5-14(2)6-8-16/h5-8,13,15H,4,9-12H2,1-3H3