(2S)-2-[(3,4-dimethoxyphenyl)methylamino]-2-pyridin-3-yl-ethanenitrile

Systemtic Name: (2S)-2-[(3,4-dimethoxyphenyl)methylamino]-2-pyridin-3-yl-ethanenitrile Openeye Name: (2S)-2-[(3,4-dimethoxyphenyl)methylamino]-2-(3-pyridyl)acetonitrile CAS Name: (2S)-2-[(3,4-dimethoxyphenyl)methylamino]-2-(3-pyridinyl)acetonitrile IUPAC Name: (2S)-2-[(3,4-dimethoxyphenyl)methylamino]-2-pyridin-3-ylacetonitrile Traditional Name: (2S)-2-(3-pyridyl)-2-(veratrylamino)acetonitrile Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)CN[C@H](C#N)C2=CN=CC=C2)OC

InChI

InChI=1S/C16H17N3O2/c1-20-15-6-5-12(8-16(15)21-2)10-19-14(9-17)13-4-3-7-18-11-13/h3-8,11,14,19H,10H2,1-2H3/t14-/m1/s1