tert-butyl 4-(5-oxidanylidene-1,4-dihydropyrazol-3-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-oxidanylidene-1,4-dihydropyrazol-3-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(5-oxo-1,4-dihydropyrazol-3-yl)piperidine-1-carboxylate CAS Name: 4-(5-oxo-1,4-dihydropyrazol-3-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-oxo-1,4-dihydropyrazol-3-yl)piperidine-1-carboxylate Traditional Name: 4-(5-keto-2-pyrazolin-3-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C13H21N3O3 MolecularWeight: 267.32414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NNC(=O)C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NNC(=O)C2

InChI

InChI=1S/C13H21N3O3/c1-13(2,3)19-12(18)16-6-4-9(5-7-16)10-8-11(17)15-14-10/h9H,4-8H2,1-3H3,(H,15,17)