(2S,4S)-4-fluoranyl-1-[2-[(5-oxidanyl-2-adamantyl)amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S,4S)-4-fluoranyl-1-[2-[(5-oxidanyl-2-adamantyl)amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S,4S)-4-fluoro-1-[2-[(5-hydroxy-2-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S,4S)-4-fluoro-1-[2-[(5-hydroxy-2-adamantyl)amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S,4S)-4-fluoro-1-[2-[(5-hydroxy-2-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S,4S)-4-fluoro-1-[2-[(5-hydroxy-2-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile Formula: C17H24FN3O2 MolecularWeight: 321.389763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3NCC(=O)N4CC(CC4C#N)F)O

Isomeric SMILES

C1[C@@H](CN([C@@H]1C#N)C(=O)CNC2C3CC4CC2CC(C4)(C3)O)F

InChI

InChI=1S/C17H24FN3O2/c18-13-3-14(7-19)21(9-13)15(22)8-20-16-11-1-10-2-12(16)6-17(23,4-10)5-11/h10-14,16,20,23H,1-6,8-9H2/t10?,11?,12?,13-,14-,16?,17?/m0/s1