Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1nn(c2c1CCCC2)c3ccc(cc3)CC(=O)N4CCCC4 |
SMILES_CANONICAL | CACTVS | 3.352 | FC(F)(F)c1nn(c2ccc(CC(=O)N3CCCC3)cc2)c4CCCCc14 |
SMILES | CACTVS | 3.352 | FC(F)(F)c1nn(c2ccc(CC(=O)N3CCCC3)cc2)c4CCCCc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1CC(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4 |
SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1CC(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4 |
InChI | InChI | 1.03 | InChI=1S/C20H22F3N3O/c21-20(22,23)19-16-5-1-2-6-17(16)26(24-19)15-9-7-14(8-10-15)13-18(27)25-11-3-4-12-25/h7-10H,1-6,11-13H2 |
InChIKey | InChI | 1.03 | PGXLUSOTMSRODM-UHFFFAOYSA-N |