| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC(=O)N(C)CCOc1ccccc1Oc1cc(Cl)cn2cc(cc12)C#N |
| InChI | InChI | 1.06 | InChI=1S/C21H20ClN3O3/c1-3-21(26)24(2)8-9-27-18-6-4-5-7-19(18)28-20-11-16(22)14-25-13-15(12-23)10-17(20)25/h4-7,10-11,13-14H,3,8-9H2,1-2H3 |
| InChIKey | InChI | 1.06 | OANNJTAOFACLCJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N(C)CCOc1ccccc1Oc2cc(Cl)cn3cc(cc23)C#N |
| SMILES | CACTVS | 3.385 | CCC(=O)N(C)CCOc1ccccc1Oc2cc(Cl)cn3cc(cc23)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(C)CCOc1ccccc1Oc2cc(cn3c2cc(c3)C#N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(C)CCOc1ccccc1Oc2cc(cn3c2cc(c3)C#N)Cl |
