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

Systemtic Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridin-4-yl-ethanenitrile Openeye Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(4-pyridyl)acetonitrile CAS Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridin-4-ylacetonitrile IUPAC Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridin-4-ylacetonitrile Traditional Name: (2S)-2-(homoveratrylamino)-2-(4-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=CC=NC=C2)OC

Isomeric SMILES

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

InChI

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