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

Systemtic Name: (2S,5R)-5-ethynyl-1-[2-[[1-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]oxy-cyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S,5R)-5-ethynyl-1-[2-[[1-methyl-4-[[5-(trifluoromethyl)-2-pyridyl]oxy]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S,5R)-5-ethynyl-1-[2-[[1-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S,5R)-5-ethynyl-1-[2-[[1-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]oxycyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S,5R)-5-ethynyl-1-[2-[[1-methyl-4-[[5-(trifluoromethyl)-2-pyridyl]oxy]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C22H25F3N4O2 MolecularWeight: 434.45471

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)OC2=NC=C(C=C2)C(F)(F)F)NCC(=O)N3C(CCC3C#N)C#C

Isomeric SMILES

CC1(CCC(CC1)OC2=NC=C(C=C2)C(F)(F)F)NCC(=O)N3[C@H](CC[C@H]3C#N)C#C

InChI

InChI=1S/C22H25F3N4O2/c1-3-16-5-6-17(12-26)29(16)20(30)14-28-21(2)10-8-18(9-11-21)31-19-7-4-15(13-27-19)22(23,24)25/h1,4,7,13,16-18,28H,5-6,8-11,14H2,2H3/t16-,17-,18?,21?/m0/s1