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 CCNCCNc1cc(-c2cccc(C(F)(F)F)c2)c(C#N)c2nc3ccccc3n12

InChI

InChI=1S/C23H20F3N5/c1-2-28-10-11-29-21-13-17(15-6-5-7-16(12-15)23(24,25)26)18(14-27)22-30-19-8-3-4-9-20(19)31(21)22/h3-9,12-13,28-29H,2,10-11H2,1H3

InChIKey YEXQMIJZWWVQTI-UHFFFAOYSA-N

Molecular Weight

423.44