Chemical Component Summary

Name4-[7-(3,3-dimethylbut-1-yn-1-yl)naphthalen-1-yl]-5-methoxy-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Identifiers4-[7-(3,3-dimethylbut-1-ynyl)naphthalen-1-yl]-5-methoxy-2-methyl-1,2,4-triazol-3-one
FormulaC20 H21 N3 O2
Molecular Weight335.4
TypeNON-POLYMER
Isomeric SMILESCC(C)(C)C#Cc1ccc2cccc(c2c1)N3C(=NN(C3=O)C)OC
InChIInChI=1S/C20H21N3O2/c1-20(2,3)12-11-14-9-10-15-7-6-8-17(16(15)13-14)23-18(25-5)21-22(4)19(23)24/h6-10,13H,1-5H3
InChIKeyXLOATFKILHMZGY-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count48
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 44602365