tert-butyl 3-[[2-(phenylmethyl)pyrazol-3-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-(phenylmethyl)pyrazol-3-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(2-benzylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate CAS Name: 3-[oxo-[[2-(phenylmethyl)-3-pyrazolyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-benzylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[(2-benzylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2=CC=NN2CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2=CC=NN2CC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3/c1-21(2,3)28-20(27)24-13-7-10-17(15-24)19(26)23-18-11-12-22-25(18)14-16-8-5-4-6-9-16/h4-6,8-9,11-12,17H,7,10,13-15H2,1-3H3,(H,23,26)