| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(c(ccc1)OCCN2C=CC(=O)NC2=O)Oc3cc(c4c(c3C)cc(cc4)C#N)N(C(=O)CF)C |
| InChI | InChI | 1.03 | InChI=1S/C27H23FN4O5/c1-17-20-13-18(16-29)7-8-19(20)21(31(2)26(34)15-28)14-24(17)37-23-6-4-3-5-22(23)36-12-11-32-10-9-25(33)30-27(32)35/h3-10,13-14H,11-12,15H2,1-2H3,(H,30,33,35) |
| InChIKey | InChI | 1.03 | FGIZVIJZVLIADM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C(=O)CF)c1cc(Oc2ccccc2OCCN3C=CC(=O)NC3=O)c(C)c4cc(ccc14)C#N |
| SMILES | CACTVS | 3.385 | CN(C(=O)CF)c1cc(Oc2ccccc2OCCN3C=CC(=O)NC3=O)c(C)c4cc(ccc14)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)CF)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)CF)C#N |
