(2S,5S)-5-ethynyl-1-[2-[[4-(5-fluoranylpyridin-3-yl)oxycyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S,5S)-5-ethynyl-1-[2-[[4-(5-fluoranylpyridin-3-yl)oxycyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S,5S)-5-ethynyl-1-[2-[[4-[(5-fluoro-3-pyridyl)oxy]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S,5S)-5-ethynyl-1-[2-[[4-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S,5S)-5-ethynyl-1-[2-[[4-(5-fluoropyridin-3-yl)oxycyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S,5S)-5-ethynyl-1-[2-[[4-[(5-fluoro-3-pyridyl)oxy]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C20H23FN4O2 MolecularWeight: 370.420623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN4O2/c1-2-16-5-6-17(10-22)25(16)20(26)13-24-15-3-7-18(8-4-15)27-19-9-14(21)11-23-12-19/h1,9,11-12,15-18,24H,3-8,13H2/t15?,16-,17+,18?/m1/s1