2-[3-(bromomethyl)-5-(2-cyano-1,1,1,3,3,3-hexadeuterio-propan-2-yl)phenyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propanenitrile

Systemtic Name: 2-[3-(bromomethyl)-5-(2-cyano-1,1,1,3,3,3-hexadeuterio-propan-2-yl)phenyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propanenitrile Openeye Name: 2-[3-(bromomethyl)-5-[1-cyano-2,2,2-trideuterio-1-(trideuteriomethyl)ethyl]phenyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propanenitrile CAS Name: 2-[3-(bromomethyl)-5-(2-cyano-1,1,1,3,3,3-hexadeuteriopropan-2-yl)phenyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propanenitrile IUPAC Name: 2-[3-(bromomethyl)-5-(2-cyano-1,1,1,3,3,3-hexadeuteriopropan-2-yl)phenyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propanenitrile Traditional Name: 2-[3-(bromomethyl)-5-[1-cyano-2,2,2-trideuterio-1-(trideuteriomethyl)ethyl]phenyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propionitrile Formula: C15H17BrN2 MolecularWeight: 317.286821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC(=C1)CBr)C(C)(C)C#N

Isomeric SMILES

[2H]C([2H])([2H])C(C#N)(C1=CC(=CC(=C1)CBr)C(C#N)(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C15H17BrN2/c1-14(2,9-17)12-5-11(8-16)6-13(7-12)15(3,4)10-18/h5-7H,8H2,1-4H3/i1D3,2D3,3D3,4D3