Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H12F4N4O/c23-15-3-5-19(17(8-15)22(24,25)26)30-20(31)6-2-13-9-27-18-4-1-12(7-16(18)21(13)30)14-10-28-29-11-14/h1-11H,(H,28,29) |
InChIKey | InChI | 1.03 | GDVQGEPAYBCRBS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(N2C(=O)C=Cc3cnc4ccc(cc4c23)c5c[nH]nc5)c(c1)C(F)(F)F |
SMILES | CACTVS | 3.385 | Fc1ccc(N2C(=O)C=Cc3cnc4ccc(cc4c23)c5c[nH]nc5)c(c1)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1c3c[nH]nc3)c4c(cn2)C=CC(=O)N4c5ccc(cc5C(F)(F)F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1c3c[nH]nc3)c4c(cn2)C=CC(=O)N4c5ccc(cc5C(F)(F)F)F |