2-[4-[3-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[3-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[3-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-[4-(5-bromo-2-pyridyl)piperazino]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C20H23BrN4O2 MolecularWeight: 431.32622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)CC#N)O)C3=NC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)CC#N)O)C3=NC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN4O2/c21-17-3-6-20(23-13-17)25-11-9-24(10-12-25)14-18(26)15-27-19-4-1-16(2-5-19)7-8-22/h1-6,13,18,26H,7,9-12,14-15H2