tert-butyl 4-(4-methyl-5-oxidanylidene-1,2-dihydropyrazol-3-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-methyl-5-oxidanylidene-1,2-dihydropyrazol-3-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)piperidine-1-carboxylate CAS Name: 4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)piperidine-1-carboxylate Traditional Name: 4-(5-keto-4-methyl-3-pyrazolin-3-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C14H23N3O3 MolecularWeight: 281.35072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NNC1=O)C2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(NNC1=O)C2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C14H23N3O3/c1-9-11(15-16-12(9)18)10-5-7-17(8-6-10)13(19)20-14(2,3)4/h10H,5-8H2,1-4H3,(H2,15,16,18)