2-(cyclopropylamino)-2-(3,4-dimethoxyphenyl)ethanenitrile

Systemtic Name: 2-(cyclopropylamino)-2-(3,4-dimethoxyphenyl)ethanenitrile Openeye Name: 2-(cyclopropylamino)-2-(3,4-dimethoxyphenyl)acetonitrile CAS Name: 2-(cyclopropylamino)-2-(3,4-dimethoxyphenyl)acetonitrile IUPAC Name: 2-(cyclopropylamino)-2-(3,4-dimethoxyphenyl)acetonitrile Traditional Name: 2-(cyclopropylamino)-2-(3,4-dimethoxyphenyl)acetonitrile Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)NC2CC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C#N)NC2CC2)OC

InChI

InChI=1S/C13H16N2O2/c1-16-12-6-3-9(7-13(12)17-2)11(8-14)15-10-4-5-10/h3,6-7,10-11,15H,4-5H2,1-2H3