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 CN(CCc1ccccc1)c1cc(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)n1

InChI

InChI=1S/C26H24N2O2/c1-28(16-15-19-5-3-2-4-6-19)26-18-22(20-7-11-23(29)12-8-20)17-25(27-26)21-9-13-24(30)14-10-21/h2-14,17-18,29-30H,15-16H2,1H3

InChIKey SEAGICQGKLIWII-UHFFFAOYSA-N

Molecular Weight

396.49