ethyl 4-[(4-chlorophenyl)methyl]-1-[(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[oxo-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-(6-keto-4,5-dihydro-1H-pyridazine-3-carbonyl)isonipecotic acid ethyl ester Formula: C20H24ClN3O4 MolecularWeight: 405.87526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=NNC(=O)CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=NNC(=O)CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O4/c1-2-28-19(27)20(13-14-3-5-15(21)6-4-14)9-11-24(12-10-20)18(26)16-7-8-17(25)23-22-16/h3-6H,2,7-13H2,1H3,(H,23,25)