[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-[(2S)-2-ethylpiperidino]-2-keto-ethyl] ester Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3O3/c1-3-15-9-7-8-12-23(15)17(25)13-27-20(26)18-14(2)22-24(19(18)21)16-10-5-4-6-11-16/h4-6,10-11,15H,3,7-9,12-13H2,1-2H3/t15-/m0/s1