2-[4-[1-[(4-bromanyl-2-methyl-phenyl)amino]ethyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[1-[(4-bromanyl-2-methyl-phenyl)amino]ethyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[1-(4-bromo-2-methyl-anilino)ethyl]phenoxy]acetonitrile CAS Name: 2-[4-[1-(4-bromo-2-methylanilino)ethyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[1-(4-bromo-2-methylanilino)ethyl]phenoxy]acetonitrile Traditional Name: 2-[4-[1-(4-bromo-2-methyl-anilino)ethyl]phenoxy]acetonitrile Formula: C17H17BrN2O MolecularWeight: 345.23368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(C)C2=CC=C(C=C2)OCC#N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(C)C2=CC=C(C=C2)OCC#N

InChI

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