[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl] 3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid [2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid [2-(4-carbamoylpiperidino)-2-keto-ethyl] ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCC(=O)N3CCC(CC3)C(=O)N)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCC(=O)N3CCC(CC3)C(=O)N)C

InChI

InChI=1S/C22H28N4O4/c1-14-4-6-17(7-5-14)12-26-16(3)20(15(2)24-26)22(29)30-13-19(27)25-10-8-18(9-11-25)21(23)28/h4-7,18H,8-13H2,1-3H3,(H2,23,28)