(2S,4S)-4-fluoranyl-1-[2-[(3-oxidanyl-1-adamantyl)amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S,4S)-4-fluoranyl-1-[2-[(3-oxidanyl-1-adamantyl)amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S,4S)-4-fluoro-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S,4S)-4-fluoro-1-[2-[(3-hydroxy-1-adamantyl)amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S,4S)-4-fluoro-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S,4S)-4-fluoro-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile Formula: C17H24FN3O2 MolecularWeight: 321.389763

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)NCC(=O)N4CC(CC4C#N)F

Isomeric SMILES

C1[C@@H](CN([C@@H]1C#N)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)F

InChI

InChI=1S/C17H24FN3O2/c18-13-2-14(7-19)21(9-13)15(22)8-20-16-3-11-1-12(4-16)6-17(23,5-11)10-16/h11-14,20,23H,1-6,8-10H2/t11?,12?,13-,14-,16?,17?/m0/s1