(2S,5R)-5-ethynyl-1-[2-(2-pyridin-4-ylethylamino)ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S,5R)-5-ethynyl-1-[2-(2-pyridin-4-ylethylamino)ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S,5R)-5-ethynyl-1-[2-[2-(4-pyridyl)ethylamino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S,5R)-5-ethynyl-1-[1-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S,5R)-5-ethynyl-1-[2-(2-pyridin-4-ylethylamino)acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S,5R)-5-ethynyl-1-[2-[2-(4-pyridyl)ethylamino]acetyl]pyrrolidine-2-carbonitrile Formula: C16H18N4O MolecularWeight: 282.34032

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCC(N1C(=O)CNCCC2=CC=NC=C2)C#N

Isomeric SMILES

C#C[C@H]1CC[C@H](N1C(=O)CNCCC2=CC=NC=C2)C#N

InChI

InChI=1S/C16H18N4O/c1-2-14-3-4-15(11-17)20(14)16(21)12-19-10-7-13-5-8-18-9-6-13/h1,5-6,8-9,14-15,19H,3-4,7,10,12H2/t14-,15-/m0/s1