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 CNc1ccccc1OCCNCC1(F)CCN(C(=O)c2ccc(F)c(Cl)c2)CC1

InChI

InChI=1S/C22H26ClF2N3O2/c1-26-19-4-2-3-5-20(19)30-13-10-27-15-22(25)8-11-28(12-9-22)21(29)16-6-7-18(24)17(23)14-16/h2-7,14,26-27H,8-13,15H2,1H3

InChIKey GKXSCSYAOOOLAP-UHFFFAOYSA-N

Molecular Weight

437.92