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 CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1

InChI InChI=1S/C20H20N2/c1-21-10-9-19-18(13-21)17-8-4-7-15-11-14-5-2-3-6-16(14)12-22(19)20(15)17/h2-8H,9-13H2,1H3

InChIKey RQBRUGMHSQYCNU-UHFFFAOYSA-N

Molecular Weight

288.39