2-[4-bromanyl-2-[(1-phenylethylamino)methyl]phenoxy]ethanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCC2=C(C=CC(=C2)Br)OCC#N

Isomeric SMILES

CC(C1=CC=CC=C1)NCC2=C(C=CC(=C2)Br)OCC#N

InChI

InChI=1S/C17H17BrN2O/c1-13(14-5-3-2-4-6-14)20-12-15-11-16(18)7-8-17(15)21-10-9-19/h2-8,11,13,20H,10,12H2,1H3