Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c2cccc3c(c1ccc(O)cc1O)n(nc23)CC(C)C |
InChI | InChI | 1.03 | InChI=1S/C18H17F3N2O2/c1-10(2)9-23-17(12-7-6-11(24)8-15(12)25)13-4-3-5-14(16(13)22-23)18(19,20)21/h3-8,10,24-25H,9H2,1-2H3 |
InChIKey | InChI | 1.03 | XWMKKIQCFPTPKH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)Cn1nc2c(cccc2C(F)(F)F)c1c3ccc(O)cc3O |
SMILES | CACTVS | 3.370 | CC(C)Cn1nc2c(cccc2C(F)(F)F)c1c3ccc(O)cc3O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)Cn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)Cn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O |