2-phenyl-2-(3,4,5,6-tetradeuteriopyridin-2-yl)ethanenitrile

Systemtic Name: 2-phenyl-2-(3,4,5,6-tetradeuteriopyridin-2-yl)ethanenitrile Openeye Name: 2-phenyl-2-(3,4,5,6-tetradeuterio-2-pyridyl)acetonitrile CAS Name: 2-phenyl-2-(3,4,5,6-tetradeuterio-2-pyridinyl)acetonitrile IUPAC Name: 2-phenyl-2-(3,4,5,6-tetradeuteriopyridin-2-yl)acetonitrile Traditional Name: 2-phenyl-2-(3,4,5,6-tetradeuterio-2-pyridyl)acetonitrile Formula: C13H10N2 MolecularWeight: 198.256547

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C2=CC=CC=N2

Isomeric SMILES

[2H]C1=C(C(=NC(=C1[2H])C(C#N)C2=CC=CC=C2)[2H])[2H]

InChI

InChI=1S/C13H10N2/c14-10-12(11-6-2-1-3-7-11)13-8-4-5-9-15-13/h1-9,12H/i4D,5D,8D,9D