Identifier Cleaner

Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.

Example: aspirin → CC(=O)Oc1ccccc1C(=O)O

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES O=C1CCCc2n[nH]c(Nc3ccc(C(F)(F)F)cc3)c21

InChI InChI=1S/C14H12F3N3O/c15-14(16,17)8-4-6-9(7-5-8)18-13-12-10(19-20-13)2-1-3-11(12)21/h4-7H,1-3H2,(H2,18,19,20)

InChIKey YCHOZJNQCWSVBZ-UHFFFAOYSA-N

Molecular Weight

295.26