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

Systemtic Name: 2-[4-[1-(3-bromanyl-4-methoxy-phenyl)ethylamino]phenyl]ethanenitrile Openeye Name: 2-[4-[1-(3-bromo-4-methoxy-phenyl)ethylamino]phenyl]acetonitrile CAS Name: 2-[4-[1-(3-bromo-4-methoxyphenyl)ethylamino]phenyl]acetonitrile IUPAC Name: 2-[4-[1-(3-bromo-4-methoxyphenyl)ethylamino]phenyl]acetonitrile Traditional Name: 2-[4-[1-(3-bromo-4-methoxy-phenyl)ethylamino]phenyl]acetonitrile Formula: C17H17BrN2O MolecularWeight: 345.23368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)Br)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)Br)NC2=CC=C(C=C2)CC#N

InChI

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