6-[[2-[(2S,4S)-2-cyano-4-fluoranyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-N-(4-cyanophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide

Systemtic Name: 6-[[2-[(2S,4S)-2-cyano-4-fluoranyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-N-(4-cyanophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide Openeye Name: 6-[[2-[(2S,4S)-2-cyano-4-fluoro-pyrrolidin-1-yl]-2-oxo-ethyl]amino]-N-(4-cyanophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide CAS Name: 6-[[2-[(2S,4S)-2-cyano-4-fluoro-1-pyrrolidinyl]-2-oxoethyl]amino]-N-(4-cyanophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide IUPAC Name: 6-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(4-cyanophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide Traditional Name: 6-[[2-[(2S,4S)-2-cyano-4-fluoro-pyrrolidino]-2-keto-ethyl]amino]-N-(4-cyanophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide Formula: C20H21FN6O2 MolecularWeight: 396.418143

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C#N)C(=O)CNC2C3C2CN(C3)C(=O)NC4=CC=C(C=C4)C#N)F

Isomeric SMILES

C1[C@@H](CN([C@@H]1C#N)C(=O)CNC2C3C2CN(C3)C(=O)NC4=CC=C(C=C4)C#N)F

InChI

InChI=1S/C20H21FN6O2/c21-13-5-15(7-23)27(9-13)18(28)8-24-19-16-10-26(11-17(16)19)20(29)25-14-3-1-12(6-22)2-4-14/h1-4,13,15-17,19,24H,5,8-11H2,(H,25,29)/t13-,15-,16?,17?,19?/m0/s1