2-[5-bromanyl-2-(cyanomethyl)-3-(2-cyanopropan-2-yl)phenyl]-2-methyl-propanenitrile

Systemtic Name: 2-[5-bromanyl-2-(cyanomethyl)-3-(2-cyanopropan-2-yl)phenyl]-2-methyl-propanenitrile Openeye Name: 2-[5-bromo-2-(cyanomethyl)-3-(1-cyano-1-methyl-ethyl)phenyl]-2-methyl-propanenitrile CAS Name: 2-[5-bromo-2-(cyanomethyl)-3-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile IUPAC Name: 2-[5-bromo-2-(cyanomethyl)-3-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile Traditional Name: 2-[5-bromo-2-(cyanomethyl)-3-(1-cyano-1-methyl-ethyl)phenyl]-2-methyl-propionitrile Formula: C16H16BrN3 MolecularWeight: 330.22234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC(=C1CC#N)C(C)(C)C#N)Br

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC(=C1CC#N)C(C)(C)C#N)Br

InChI

InChI=1S/C16H16BrN3/c1-15(2,9-19)13-7-11(17)8-14(12(13)5-6-18)16(3,4)10-20/h7-8H,5H2,1-4H3