tert-butyl 4-(2-hydroxyethyl)-4-[5-(phenylmethyl)-1H-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-hydroxyethyl)-4-[5-(phenylmethyl)-1H-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(5-benzyl-1H-pyrazol-3-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate CAS Name: 4-(2-hydroxyethyl)-4-[5-(phenylmethyl)-1H-pyrazol-3-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-benzyl-1H-pyrazol-3-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate Traditional Name: 4-(5-benzyl-1H-pyrazol-3-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CCO)C2=NNC(=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CCO)C2=NNC(=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O3/c1-21(2,3)28-20(27)25-12-9-22(10-13-25,11-14-26)19-16-18(23-24-19)15-17-7-5-4-6-8-17/h4-8,16,26H,9-15H2,1-3H3,(H,23,24)