1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-3-(4-tert-butylphenoxy)propan-2-ol

Systemtic Name: 1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-3-(4-tert-butylphenoxy)propan-2-ol Openeye Name: 1-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-3-(4-tert-butylphenoxy)propan-2-ol CAS Name: 1-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-3-(4-tert-butylphenoxy)-2-propanol IUPAC Name: 1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-3-(4-tert-butylphenoxy)propan-2-ol Traditional Name: 1-[4-(5-bromo-2-pyridyl)piperazino]-3-(4-tert-butylphenoxy)propan-2-ol Formula: C22H30BrN3O2 MolecularWeight: 448.3965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=NC=C(C=C3)Br)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=NC=C(C=C3)Br)O

InChI

InChI=1S/C22H30BrN3O2/c1-22(2,3)17-4-7-20(8-5-17)28-16-19(27)15-25-10-12-26(13-11-25)21-9-6-18(23)14-24-21/h4-9,14,19,27H,10-13,15-16H2,1-3H3