[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 1-(4-chlorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxylate CAS Name: 1-(4-chlorophenyl)-6-methyl-4-oxo-3-pyridazinecarboxylic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)-4-keto-6-methyl-pyridazine-3-carboxylic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=NN(C(=CC2=O)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=NN(C(=CC2=O)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O4/c1-13-4-3-9-23(11-13)18(26)12-28-20(27)19-17(25)10-14(2)24(22-19)16-7-5-15(21)6-8-16/h5-8,10,13H,3-4,9,11-12H2,1-2H3