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 CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(F)ccc(F)c1C3

InChI InChI=1S/C19H17F2N/c1-10-9-19(2,3)22-17-7-11-6-14-15(20)4-5-16(21)18(14)13(11)8-12(10)17/h4-5,7-9,22H,6H2,1-3H3

InChIKey PECGBIWHNLKBOG-UHFFFAOYSA-N

Molecular Weight

297.35