2-(2-bromanyl-4-tert-butyl-phenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2-bromanyl-4-tert-butyl-phenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2-bromo-4-tert-butyl-phenoxy)-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-(2-bromo-4-tert-butylphenoxy)-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-bromo-4-tert-butylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2-bromo-4-tert-butyl-phenoxy)-1-[4-(2-pyridyl)piperazino]ethanone Formula: C21H26BrN3O2 MolecularWeight: 432.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)Br

InChI

InChI=1S/C21H26BrN3O2/c1-21(2,3)16-7-8-18(17(22)14-16)27-15-20(26)25-12-10-24(11-13-25)19-6-4-5-9-23-19/h4-9,14H,10-13,15H2,1-3H3