ethyl 1-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(2-benzyl-5-tert-butyl-pyrazole-3-carbonyl)piperidine-4-carboxylate CAS Name: 1-[[5-tert-butyl-2-(phenylmethyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-benzyl-5-tert-butylpyrazole-3-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-benzyl-5-tert-butyl-pyrazole-3-carbonyl)isonipecotic acid ethyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2CC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2CC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C23H31N3O3/c1-5-29-22(28)18-11-13-25(14-12-18)21(27)19-15-20(23(2,3)4)24-26(19)16-17-9-7-6-8-10-17/h6-10,15,18H,5,11-14,16H2,1-4H3