2-(6-chloranylpyrazin-2-yl)-2-(3,4-dimethoxyphenyl)ethanenitrile

Systemtic Name: 2-(6-chloranylpyrazin-2-yl)-2-(3,4-dimethoxyphenyl)ethanenitrile Openeye Name: 2-(6-chloropyrazin-2-yl)-2-(3,4-dimethoxyphenyl)acetonitrile CAS Name: 2-(6-chloro-2-pyrazinyl)-2-(3,4-dimethoxyphenyl)acetonitrile IUPAC Name: 2-(6-chloropyrazin-2-yl)-2-(3,4-dimethoxyphenyl)acetonitrile Traditional Name: 2-(6-chloropyrazin-2-yl)-2-(3,4-dimethoxyphenyl)acetonitrile Formula: C14H12ClN3O2 MolecularWeight: 289.71698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)C2=CN=CC(=N2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C#N)C2=CN=CC(=N2)Cl)OC

InChI

InChI=1S/C14H12ClN3O2/c1-19-12-4-3-9(5-13(12)20-2)10(6-16)11-7-17-8-14(15)18-11/h3-5,7-8,10H,1-2H3