tert-butyl 4-[6-(2-chloranylpyridin-4-yl)-4-methoxycarbonyl-pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-(2-chloranylpyridin-4-yl)-4-methoxycarbonyl-pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-(2-chloro-4-pyridyl)-4-methoxycarbonyl-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[6-(2-chloro-4-pyridinyl)-4-methoxycarbonyl-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-(2-chloropyridin-4-yl)-4-methoxycarbonylpyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-carbomethoxy-6-(2-chloro-4-pyridyl)-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H25ClN4O4 MolecularWeight: 432.9006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=CC(=N2)C3=CC(=NC=C3)Cl)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=CC(=N2)C3=CC(=NC=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H25ClN4O4/c1-21(2,3)30-20(28)26-9-7-25(8-10-26)18-13-15(19(27)29-4)11-16(24-18)14-5-6-23-17(22)12-14/h5-6,11-13H,7-10H2,1-4H3