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

Systemtic Name: 6-[4-[[2-[(2S,5S)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile Openeye Name: 6-[4-[[2-[(2S,5S)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]cyclohexoxy]pyridine-3-carbonitrile CAS Name: 6-[4-[[2-[(2S,5S)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]cyclohexyl]oxy-3-pyridinecarbonitrile IUPAC Name: 6-[4-[[2-[(2S,5S)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile Traditional Name: 6-[4-[[2-[(2S,5S)-2-cyano-5-ethynyl-pyrrolidino]-2-keto-ethyl]amino]cyclohexoxy]nicotinonitrile Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2/c1-2-17-6-7-18(12-23)26(17)21(27)14-24-16-4-8-19(9-5-16)28-20-10-3-15(11-22)13-25-20/h1,3,10,13,16-19,24H,4-9,14H2/t16?,17-,18+,19?/m1/s1