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

Systemtic Name: tert-butyl 4-[1-ethyl-5-(phenylmethyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(5-benzyl-1-ethyl-pyrazol-3-yl)piperidine-1-carboxylate CAS Name: 4-[1-ethyl-5-(phenylmethyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-benzyl-1-ethylpyrazol-3-yl)piperidine-1-carboxylate Traditional Name: 4-(5-benzyl-1-ethyl-pyrazol-3-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C2CCN(CC2)C(=O)OC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=CC(=N1)C2CCN(CC2)C(=O)OC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O2/c1-5-25-19(15-17-9-7-6-8-10-17)16-20(23-25)18-11-13-24(14-12-18)21(26)27-22(2,3)4/h6-10,16,18H,5,11-15H2,1-4H3