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 CCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O

InChI

InChI=1S/C24H30Cl2N4O/c1-2-27-13-16-29-18-30(19-7-4-3-5-8-19)24(23(29)31)11-14-28(15-12-24)17-20-21(25)9-6-10-22(20)26/h3-10,27H,2,11-18H2,1H3

InChIKey YPOXRWBHPLIZDK-UHFFFAOYSA-N

Molecular Weight

461.44