| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#C\C=C\c3cc(Oc2ccccc2OCCN1C=CC(=O)NC1=O)cc(Cl)c3 |
| InChI | InChI | 1.03 | InChI=1S/C21H16ClN3O4/c22-16-12-15(4-3-8-23)13-17(14-16)29-19-6-2-1-5-18(19)28-11-10-25-9-7-20(26)24-21(25)27/h1-7,9,12-14H,10-11H2,(H,24,26,27)/b4-3+ |
| InChIKey | InChI | 1.03 | QQWLDKMLZHRQRI-ONEGZZNKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(Oc2ccccc2OCCN3C=CC(=O)NC3=O)cc(\C=C\C#N)c1 |
| SMILES | CACTVS | 3.385 | Clc1cc(Oc2ccccc2OCCN3C=CC(=O)NC3=O)cc(C=CC#N)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)C=CC#N |
