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 C[C@H]1CCc2c(cc(C(=O)Nc3ccccc3)c(=O)n2C)C1

InChI

InChI=1S/C18H20N2O2/c1-12-8-9-16-13(10-12)11-15(18(22)20(16)2)17(21)19-14-6-4-3-5-7-14/h3-7,11-12H,8-10H2,1-2H3,(H,19,21)/t12-/m0/s1

InChIKey DDJPUVBPORKUQG-LBPRGKRZSA-N

Molecular Weight

296.37