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

Systemtic Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridin-3-yl-ethanenitrile Openeye Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(3-pyridyl)acetonitrile CAS Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(3-pyridinyl)acetonitrile IUPAC Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridin-3-ylacetonitrile Traditional Name: (2S)-2-(homoveratrylamino)-2-(3-pyridyl)acetonitrile Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2/c1-21-16-6-5-13(10-17(16)22-2)7-9-20-15(11-18)14-4-3-8-19-12-14/h3-6,8,10,12,15,20H,7,9H2,1-2H3/t15-/m1/s1