(2S)-2-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethylamino)ethanenitrile

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethylamino)ethanenitrile Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(3-pyridylmethylamino)acetonitrile CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(3-pyridinylmethylamino)acetonitrile IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetonitrile Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(3-pyridylmethylamino)acetonitrile Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)NCC2=CN=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C#N)NCC2=CN=CC=C2)OC

InChI

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