(2-oxidanylidene-2-piperidin-1-yl-ethyl) 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)N2CCCCC2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)N2CCCCC2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C19H22ClN3O3/c1-14-17(18(20)23(21-14)12-15-8-4-2-5-9-15)19(25)26-13-16(24)22-10-6-3-7-11-22/h2,4-5,8-9H,3,6-7,10-13H2,1H3