1-[2-(5-bromanylpyridin-3-yl)phenyl]pentan-1-one

Systemtic Name: 1-[2-(5-bromanylpyridin-3-yl)phenyl]pentan-1-one Openeye Name: 1-[2-(5-bromo-3-pyridyl)phenyl]pentan-1-one CAS Name: 1-[2-(5-bromo-3-pyridinyl)phenyl]-1-pentanone IUPAC Name: 1-[2-(5-bromopyridin-3-yl)phenyl]pentan-1-one Traditional Name: 1-[2-(5-bromo-3-pyridyl)phenyl]pentan-1-one Formula: C16H16BrNO MolecularWeight: 318.20834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC=CC=C1C2=CC(=CN=C2)Br

Isomeric SMILES

CCCCC(=O)C1=CC=CC=C1C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H16BrNO/c1-2-3-8-16(19)15-7-5-4-6-14(15)12-9-13(17)11-18-10-12/h4-7,9-11H,2-3,8H2,1H3