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

Systemtic Name: 2-[4-[(3-bromanyl-4-methoxy-phenyl)methylamino]phenyl]ethanenitrile Openeye Name: 2-[4-[(3-bromo-4-methoxy-phenyl)methylamino]phenyl]acetonitrile CAS Name: 2-[4-[(3-bromo-4-methoxyphenyl)methylamino]phenyl]acetonitrile IUPAC Name: 2-[4-[(3-bromo-4-methoxyphenyl)methylamino]phenyl]acetonitrile Traditional Name: 2-[4-[(3-bromo-4-methoxy-benzyl)amino]phenyl]acetonitrile Formula: C16H15BrN2O MolecularWeight: 331.2071

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=CC=C(C=C2)CC#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=CC=C(C=C2)CC#N)Br

InChI

InChI=1S/C16H15BrN2O/c1-20-16-7-4-13(10-15(16)17)11-19-14-5-2-12(3-6-14)8-9-18/h2-7,10,19H,8,11H2,1H3