2-[(4-bromanylphenoxy)methyl]-2-pyridin-3-yl-pentanenitrile

Systemtic Name: 2-[(4-bromanylphenoxy)methyl]-2-pyridin-3-yl-pentanenitrile Openeye Name: 2-[(4-bromophenoxy)methyl]-2-(3-pyridyl)pentanenitrile CAS Name: 2-[(4-bromophenoxy)methyl]-2-(3-pyridinyl)pentanenitrile IUPAC Name: 2-[(4-bromophenoxy)methyl]-2-pyridin-3-ylpentanenitrile Traditional Name: 2-[(4-bromophenoxy)methyl]-2-(3-pyridyl)valeronitrile Formula: C17H17BrN2O MolecularWeight: 345.23368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(COC1=CC=C(C=C1)Br)(C#N)C2=CN=CC=C2

Isomeric SMILES

CCCC(COC1=CC=C(C=C1)Br)(C#N)C2=CN=CC=C2

InChI

InChI=1S/C17H17BrN2O/c1-2-9-17(12-19,14-4-3-10-20-11-14)13-21-16-7-5-15(18)6-8-16/h3-8,10-11H,2,9,13H2,1H3