Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c3nc(c2nnc1cnccc12)cc(NCCO)c3 |
InChI | InChI | 1.03 | InChI=1S/C14H12F3N5O/c15-14(16,17)12-6-8(19-3-4-23)5-10(20-12)13-9-1-2-18-7-11(9)21-22-13/h1-2,5-7,23H,3-4H2,(H,19,20)(H,21,22) |
InChIKey | InChI | 1.03 | CNTAIQDCYAEVFL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCCNc1cc(nc(c1)C(F)(F)F)c2n[nH]c3cnccc23 |
SMILES | CACTVS | 3.385 | OCCNc1cc(nc(c1)C(F)(F)F)c2n[nH]c3cnccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cncc2c1c(n[nH]2)c3cc(cc(n3)C(F)(F)F)NCCO |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cncc2c1c(n[nH]2)c3cc(cc(n3)C(F)(F)F)NCCO |