3-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]piperidin-1-yl]-4H-pyridine-3-carbonitrile

Systemtic Name: 3-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]piperidin-1-yl]-4H-pyridine-3-carbonitrile Openeye Name: 3-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-piperidyl]-4H-pyridine-3-carbonitrile CAS Name: 3-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]-1-piperidinyl]-4H-pyridine-3-carbonitrile IUPAC Name: 3-[4-[[2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]-4H-pyridine-3-carbonitrile Traditional Name: 3-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidino]-2-keto-ethyl]amino]piperidino]-4H-pyridine-3-carbonitrile Formula: C20H24N6O MolecularWeight: 364.44416

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCC(N1C(=O)CNC2CCN(CC2)C3(CC=CN=C3)C#N)C#N

Isomeric SMILES

C#C[C@H]1CC[C@H](N1C(=O)CNC2CCN(CC2)C3(CC=CN=C3)C#N)C#N

InChI

InChI=1S/C20H24N6O/c1-2-17-4-5-18(12-21)26(17)19(27)13-24-16-6-10-25(11-7-16)20(14-22)8-3-9-23-15-20/h1,3,9,15-18,24H,4-8,10-11,13H2/t17-,18-,20?/m0/s1