ethyl 4-(4-methoxycarbonylpiperidin-1-yl)-1-(4-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-(4-methoxycarbonylpiperidin-1-yl)-1-(4-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(4-methoxycarbonyl-1-piperidyl)-6-oxo-1-(p-tolyl)pyridazine-3-carboxylate CAS Name: 4-(4-methoxycarbonyl-1-piperidinyl)-1-(4-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxycarbonylpiperidin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(4-carbomethoxypiperidino)-6-keto-1-(p-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1N2CCC(CC2)C(=O)OC)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1N2CCC(CC2)C(=O)OC)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25N3O5/c1-4-29-21(27)19-17(23-11-9-15(10-12-23)20(26)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