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

Systemtic Name: 3-bromanyl-4-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]benzenecarbonitrile Openeye Name: 3-bromo-4-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]benzonitrile CAS Name: 3-bromo-4-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzonitrile IUPAC Name: 3-bromo-4-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzonitrile Traditional Name: 3-bromo-4-[(4-hydroxy-3,5-dimethyl-benzyl)amino]benzonitrile Formula: C16H15BrN2O MolecularWeight: 331.2071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC2=C(C=C(C=C2)C#N)Br

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC2=C(C=C(C=C2)C#N)Br

InChI

InChI=1S/C16H15BrN2O/c1-10-5-13(6-11(2)16(10)20)9-19-15-4-3-12(8-18)7-14(15)17/h3-7,19-20H,9H2,1-2H3