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(-c2ccccc2)cc(-c2ccc(O)cc2)n1

InChI

InChI=1S/C26H24N2O/c1-28(17-16-20-8-4-2-5-9-20)26-19-23(21-10-6-3-7-11-21)18-25(27-26)22-12-14-24(29)15-13-22/h2-15,18-19,29H,16-17H2,1H3

InChIKey OWSVSNLEIAPKKE-UHFFFAOYSA-N

Molecular Weight

380.49