tert-butyl 4-[5-bromanyl-6-(2-chloranylpyridin-4-yl)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-bromanyl-6-(2-chloranylpyridin-4-yl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-bromo-6-(2-chloro-4-pyridyl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-bromo-6-(2-chloro-4-pyridinyl)-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-bromo-6-(2-chloropyridin-4-yl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-bromo-6-(2-chloro-4-pyridyl)-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H22BrClN4O2 MolecularWeight: 453.76058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrClN4O2/c1-19(2,3)27-18(26)25-10-8-24(9-11-25)16-5-4-14(20)17(23-16)13-6-7-22-15(21)12-13/h4-7,12H,8-11H2,1-3H3