6-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]piperidin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]piperidin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-piperidyl]pyridine-3-carbonitrile CAS Name: 6-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]-1-piperidinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[[2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidino]-2-keto-ethyl]amino]piperidino]nicotinonitrile Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O/c1-2-17-4-5-18(12-22)26(17)20(27)14-23-16-7-9-25(10-8-16)19-6-3-15(11-21)13-24-19/h1,3,6,13,16-18,23H,4-5,7-10,14H2/t17-,18-/m0/s1