Chemical Component Summary

Name2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
SynonymsPT512
Identifiers2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
FormulaC21 H20 N4 O2
Molecular Weight360.409
TypeNON-POLYMER
Isomeric SMILESc1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4
InChIInChI=1S/C21H20N4O2/c22-12-17-7-3-4-8-20(17)27-21-10-9-15(11-19(21)26)13-25-14-18(23-24-25)16-5-1-2-6-16/h3-4,7-11,14,16,26H,1-2,5-6,13H2
InChIKeyJZCMMIRMZDKLJY-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count50
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 124081754