2-[5-bromanyl-4-fluoranyl-2-(methoxymethoxy)phenyl]-2-(3-phenylmethoxypyridin-2-yl)ethanenitrile

Systemtic Name: 2-[5-bromanyl-4-fluoranyl-2-(methoxymethoxy)phenyl]-2-(3-phenylmethoxypyridin-2-yl)ethanenitrile Openeye Name: 2-(3-benzyloxy-2-pyridyl)-2-[5-bromo-4-fluoro-2-(methoxymethoxy)phenyl]acetonitrile CAS Name: 2-[5-bromo-4-fluoro-2-(methoxymethoxy)phenyl]-2-(3-phenylmethoxy-2-pyridinyl)acetonitrile IUPAC Name: 2-[5-bromo-4-fluoro-2-(methoxymethoxy)phenyl]-2-(3-phenylmethoxypyridin-2-yl)acetonitrile Traditional Name: 2-(3-benzoxy-2-pyridyl)-2-[5-bromo-4-fluoro-2-(methoxymethoxy)phenyl]acetonitrile Formula: C22H18BrFN2O3 MolecularWeight: 457.292323

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1=CC(=C(C=C1C(C#N)C2=C(C=CC=N2)OCC3=CC=CC=C3)Br)F

Isomeric SMILES

COCOC1=CC(=C(C=C1C(C#N)C2=C(C=CC=N2)OCC3=CC=CC=C3)Br)F

InChI

InChI=1S/C22H18BrFN2O3/c1-27-14-29-21-11-19(24)18(23)10-16(21)17(12-25)22-20(8-5-9-26-22)28-13-15-6-3-2-4-7-15/h2-11,17H,13-14H2,1H3