[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-[(3R)-3-methylpiperidino]ethyl] ester Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3O3/c1-14-7-6-10-23(11-14)17(25)13-27-20(26)18-15(2)22-24(19(18)21)12-16-8-4-3-5-9-16/h3-5,8-9,14H,6-7,10-13H2,1-2H3/t14-/m1/s1