Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C18H12F3N3O2/c1-23-9-14-13-8-10(17(25)26)2-7-15(13)24(16(14)22-23)12-5-3-11(4-6-12)18(19,20)21/h2-9H,1H3,(H,25,26) |
InChIKey | InChI | 1.06 | HUSMWXZHQVTDRU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc2c3cc(ccc3n(c4ccc(cc4)C(F)(F)F)c2n1)C(O)=O |
SMILES | CACTVS | 3.385 | Cn1cc2c3cc(ccc3n(c4ccc(cc4)C(F)(F)F)c2n1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc2c3cc(ccc3n(c2n1)c4ccc(cc4)C(F)(F)F)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc2c3cc(ccc3n(c2n1)c4ccc(cc4)C(F)(F)F)C(=O)O |