tert-butyl 4-[4-[(5-bromanylpyridin-2-yl)methyl]piperidin-1-yl]-4-methyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(5-bromanylpyridin-2-yl)methyl]piperidin-1-yl]-4-methyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(5-bromo-2-pyridyl)methyl]-1-piperidyl]-4-methyl-piperidine-1-carboxylate CAS Name: 4-[4-[(5-bromo-2-pyridinyl)methyl]-1-piperidinyl]-4-methyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(5-bromopyridin-2-yl)methyl]piperidin-1-yl]-4-methylpiperidine-1-carboxylate Traditional Name: 4-[4-[(5-bromo-2-pyridyl)methyl]piperidino]-4-methyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C22H34BrN3O2 MolecularWeight: 452.42826

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C(=O)OC(C)(C)C)N2CCC(CC2)CC3=NC=C(C=C3)Br

Isomeric SMILES

CC1(CCN(CC1)C(=O)OC(C)(C)C)N2CCC(CC2)CC3=NC=C(C=C3)Br

InChI

InChI=1S/C22H34BrN3O2/c1-21(2,3)28-20(27)25-13-9-22(4,10-14-25)26-11-7-17(8-12-26)15-19-6-5-18(23)16-24-19/h5-6,16-17H,7-15H2,1-4H3