Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCN(C(=O)NCC(F)(F)F)C(C)C1)c1ccco1 |
InChI | InChI | 1.06 | InChI=1S/C13H16F3N3O3/c1-9-7-18(11(20)10-3-2-6-22-10)4-5-19(9)12(21)17-8-13(14,15)16/h2-3,6,9H,4-5,7-8H2,1H3,(H,17,21)/t9-/m0/s1 |
InChIKey | InChI | 1.06 | ZYLVNONXIHUQRE-VIFPVBQESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CN(CCN1C(=O)NCC(F)(F)F)C(=O)c2occc2 |
SMILES | CACTVS | 3.385 | C[CH]1CN(CCN1C(=O)NCC(F)(F)F)C(=O)c2occc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CN(CCN1C(=O)NCC(F)(F)F)C(=O)c2ccco2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN(CCN1C(=O)NCC(F)(F)F)C(=O)c2ccco2 |