tert-butyl 4-(2-chloranylpyridin-3-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-chloranylpyridin-3-yl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-chloropyridine-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(2-chloro-3-pyridinyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-chloropyridine-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(2-chloronicotinoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C15H20ClN3O3 MolecularWeight: 325.7906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C15H20ClN3O3/c1-15(2,3)22-14(21)19-9-7-18(8-10-19)13(20)11-5-4-6-17-12(11)16/h4-6H,7-10H2,1-3H3