2-[4-[1-(3-bromanyl-4-fluoranyl-phenyl)ethylamino]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[1-(3-bromanyl-4-fluoranyl-phenyl)ethylamino]phenoxy]ethanenitrile Openeye Name: 2-[4-[1-(3-bromo-4-fluoro-phenyl)ethylamino]phenoxy]acetonitrile CAS Name: 2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenoxy]acetonitrile IUPAC Name: 2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenoxy]acetonitrile Traditional Name: 2-[4-[1-(3-bromo-4-fluoro-phenyl)ethylamino]phenoxy]acetonitrile Formula: C16H14BrFN2O MolecularWeight: 349.197563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)F)Br)NC2=CC=C(C=C2)OCC#N

Isomeric SMILES

CC(C1=CC(=C(C=C1)F)Br)NC2=CC=C(C=C2)OCC#N

InChI

InChI=1S/C16H14BrFN2O/c1-11(12-2-7-16(18)15(17)10-12)20-13-3-5-14(6-4-13)21-9-8-19/h2-7,10-11,20H,9H2,1H3