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

Systemtic Name: tert-butyl 4-[2-[4-[(5-bromanylpyridin-2-yl)methyl]-2-tert-butyl-piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-[(5-bromo-2-pyridyl)methyl]-2-tert-butyl-piperazin-1-yl]-2-oxo-ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-[(5-bromo-2-pyridinyl)methyl]-2-tert-butyl-1-piperazinyl]-2-oxoethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-[(5-bromopyridin-2-yl)methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-[(5-bromo-2-pyridyl)methyl]-2-tert-butyl-piperazino]-2-keto-ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H41BrN4O3 MolecularWeight: 537.53274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(=O)CC2CCN(CC2)C(=O)OC(C)(C)C)CC3=NC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(=O)CC2CCN(CC2)C(=O)OC(C)(C)C)CC3=NC=C(C=C3)Br

InChI

InChI=1S/C26H41BrN4O3/c1-25(2,3)22-18-29(17-21-8-7-20(27)16-28-21)13-14-31(22)23(32)15-19-9-11-30(12-10-19)24(33)34-26(4,5)6/h7-8,16,19,22H,9-15,17-18H2,1-6H3