1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-3-(2,5-dimethylphenoxy)propan-2-ol

Systemtic Name: 1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-3-(2,5-dimethylphenoxy)propan-2-ol Openeye Name: 1-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-3-(2,5-dimethylphenoxy)propan-2-ol CAS Name: 1-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-3-(2,5-dimethylphenoxy)-2-propanol IUPAC Name: 1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-3-(2,5-dimethylphenoxy)propan-2-ol Traditional Name: 1-[4-(5-bromo-2-pyridyl)piperazino]-3-(2,5-dimethylphenoxy)propan-2-ol Formula: C20H26BrN3O2 MolecularWeight: 420.34334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(CN2CCN(CC2)C3=NC=C(C=C3)Br)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(CN2CCN(CC2)C3=NC=C(C=C3)Br)O

InChI

InChI=1S/C20H26BrN3O2/c1-15-3-4-16(2)19(11-15)26-14-18(25)13-23-7-9-24(10-8-23)20-6-5-17(21)12-22-20/h3-6,11-12,18,25H,7-10,13-14H2,1-2H3