N-(3-cyanophenyl)-3-cyclopentylpropanamide
NMR Quality Control Of Fragment Libraries For Screening synonyms
Graphical representations:
View large 3D structure
Molecular Formula: C15H18N2O
Natural Isotopic Abundance Mass: 242.3162199999998
Mono-Isotopic Molecular Masses:
- C12N14: 242.141913206
- C13N14: 257.19223577600013
- C12N15: 244.135982992
- C13N15: 259.1863055620002
InChI string: InChI=1S/C15H18N2O/c16-11-13-6-3-7-14(10-13)17-15(18)9-8-12-4-1-2-5-12/h3,6-7,10,12H,1-2,4-5,8-9H2,(H,17,18)
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)