Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H15F3N4O3/c1-25(2)17(27)12-6-3-5-11(9-12)14-7-4-8-15(24-14)26-16(19(20,21)22)13(10-23-26)18(28)29/h3-10H,1-2H3,(H,28,29) |
InChIKey | InChI | 1.03 | FRRZRAZHHYLGGZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)c1cccc(c1)c2cccc(n2)n3ncc(C(O)=O)c3C(F)(F)F |
SMILES | CACTVS | 3.385 | CN(C)C(=O)c1cccc(c1)c2cccc(n2)n3ncc(C(O)=O)c3C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)c1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)c1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F |