4-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]benzenecarbonitrile

Systemtic Name: 4-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]benzenecarbonitrile Openeye Name: 4-[(3-bromo-4,5-dimethoxy-phenyl)methylamino]benzonitrile CAS Name: 4-[(3-bromo-4,5-dimethoxyphenyl)methylamino]benzonitrile IUPAC Name: 4-[(3-bromo-4,5-dimethoxyphenyl)methylamino]benzonitrile Traditional Name: 4-[(3-bromo-4,5-dimethoxy-benzyl)amino]benzonitrile Formula: C16H15BrN2O2 MolecularWeight: 347.2065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O2/c1-20-15-8-12(7-14(17)16(15)21-2)10-19-13-5-3-11(9-18)4-6-13/h3-8,19H,10H2,1-2H3