2-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]cyclohexyl]oxypyridine-4-carbonitrile

Systemtic Name: 2-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]cyclohexyl]oxypyridine-4-carbonitrile Openeye Name: 2-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]cyclohexoxy]pyridine-4-carbonitrile CAS Name: 2-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]cyclohexyl]oxy-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-4-carbonitrile Traditional Name: 2-[4-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidino]-2-keto-ethyl]amino]cyclohexoxy]isonicotinonitrile Formula: C21H23N5O2 MolecularWeight: 377.43962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCC(N1C(=O)CNC2CCC(CC2)OC3=NC=CC(=C3)C#N)C#N

Isomeric SMILES

C#C[C@H]1CC[C@H](N1C(=O)CNC2CCC(CC2)OC3=NC=CC(=C3)C#N)C#N

InChI

InChI=1S/C21H23N5O2/c1-2-17-5-6-18(13-23)26(17)21(27)14-25-16-3-7-19(8-4-16)28-20-11-15(12-22)9-10-24-20/h1,9-11,16-19,25H,3-8,14H2/t16?,17-,18-,19?/m0/s1