tert-butyl 4-(3-chloranyl-5-ethanoyl-pyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-chloranyl-5-ethanoyl-pyridin-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-acetyl-3-chloro-2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(5-acetyl-3-chloro-2-pyridinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-acetyl-3-chloropyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(5-acetyl-3-chloro-2-pyridyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H22ClN3O3 MolecularWeight: 339.81718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C16H22ClN3O3/c1-11(21)12-9-13(17)14(18-10-12)19-5-7-20(8-6-19)15(22)23-16(2,3)4/h9-10H,5-8H2,1-4H3