(2S,5R)-5-ethynyl-1-[2-[[4-[2-(2-oxidanylidenepyrrolidin-1-yl)-4-(trifluoromethyl)phenoxy]cyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S,5R)-5-ethynyl-1-[2-[[4-[2-(2-oxidanylidenepyrrolidin-1-yl)-4-(trifluoromethyl)phenoxy]cyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S,5R)-5-ethynyl-1-[2-[[4-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)phenoxy]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S,5R)-5-ethynyl-1-[1-oxo-2-[[4-[2-(2-oxo-1-pyrrolidinyl)-4-(trifluoromethyl)phenoxy]cyclohexyl]amino]ethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S,5R)-5-ethynyl-1-[2-[[4-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)phenoxy]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S,5R)-5-ethynyl-1-[2-[[4-[2-(2-ketopyrrolidino)-4-(trifluoromethyl)phenoxy]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C26H29F3N4O3 MolecularWeight: 502.52867

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCC(N1C(=O)CNC2CCC(CC2)OC3=C(C=C(C=C3)C(F)(F)F)N4CCCC4=O)C#N

Isomeric SMILES

C#C[C@H]1CC[C@H](N1C(=O)CNC2CCC(CC2)OC3=C(C=C(C=C3)C(F)(F)F)N4CCCC4=O)C#N

InChI

InChI=1S/C26H29F3N4O3/c1-2-19-8-9-20(15-30)33(19)25(35)16-31-18-6-10-21(11-7-18)36-23-12-5-17(26(27,28)29)14-22(23)32-13-3-4-24(32)34/h1,5,12,14,18-21,31H,3-4,6-11,13,16H2/t18?,19-,20-,21?/m0/s1