[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3/c1-13-7-5-6-10-21(13)17(22)12-24-18(23)16-11-15(19-20-16)14-8-3-2-4-9-14/h2-4,8-9,11,13H,5-7,10,12H2,1H3,(H,19,20)/t13-/m0/s1