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 Cc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)N1CC(F)C1

InChI InChI=1S/C16H15F4N3O/c1-9-11(4-10-2-3-13(21-5-10)16(18,19)20)6-22-14(9)15(24)23-7-12(17)8-23/h2-3,5-6,12,22H,4,7-8H2,1H3

InChIKey TXDNJTJRWUTQHX-UHFFFAOYSA-N

Molecular Weight

341.31