2-[4-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methylamino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methylamino]phenyl]ethanenitrile Openeye Name: 2-[4-[(3,5-dibromo-4-methoxy-phenyl)methylamino]phenyl]acetonitrile CAS Name: 2-[4-[(3,5-dibromo-4-methoxyphenyl)methylamino]phenyl]acetonitrile IUPAC Name: 2-[4-[(3,5-dibromo-4-methoxyphenyl)methylamino]phenyl]acetonitrile Traditional Name: 2-[4-[(3,5-dibromo-4-methoxy-benzyl)amino]phenyl]acetonitrile Formula: C16H14Br2N2O MolecularWeight: 410.10316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)CNC2=CC=C(C=C2)CC#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1Br)CNC2=CC=C(C=C2)CC#N)Br

InChI

InChI=1S/C16H14Br2N2O/c1-21-16-14(17)8-12(9-15(16)18)10-20-13-4-2-11(3-5-13)6-7-19/h2-5,8-9,20H,6,10H2,1H3