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.

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Canonical SMILES O=c1c(-c2ccccc2Cl)c2n(c(=O)n1CCCCN1CCCC(c3c[nH]c4ccc(F)cc34)C1)CCCC2

InChI

InChI=1S/C31H34ClFN4O2/c32-26-10-2-1-9-23(26)29-28-11-3-4-16-36(28)31(39)37(30(29)38)17-6-5-14-35-15-7-8-21(20-35)25-19-34-27-13-12-22(33)18-24(25)27/h1-2,9-10,12-13,18-19,21,34H,3-8,11,14-17,20H2

InChIKey SNGRKTKDGUTNQJ-UHFFFAOYSA-N

Molecular Weight

549.09

Search this InChIKey in ChEMBL →