tert-butyl 4-[(6-chloranylpyridin-3-yl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(6-chloranylpyridin-3-yl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-3-pyridyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(6-chloro-3-pyridinyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-chloropyridin-3-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(6-chloro-3-pyridyl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C15H22ClN3O2 MolecularWeight: 311.80708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CN=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CN=C(C=C2)Cl

InChI

InChI=1S/C15H22ClN3O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)11-12-4-5-13(16)17-10-12/h4-5,10H,6-9,11H2,1-3H3