Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CNc1cc(Oc2c(Cl)cc(NC(=O)Nc3cc(ccc3)C(F)(F)F)cc2Cl)ncn1 |
InChI | InChI | 1.03 | InChI=1S/C19H14Cl2F3N5O2/c1-25-15-8-16(27-9-26-15)31-17-13(20)6-12(7-14(17)21)29-18(30)28-11-4-2-3-10(5-11)19(22,23)24/h2-9H,1H3,(H,25,26,27)(H2,28,29,30) |
InChIKey | InChI | 1.03 | QOQADIYOLOHRAW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNc1cc(Oc2c(Cl)cc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2Cl)ncn1 |
SMILES | CACTVS | 3.385 | CNc1cc(Oc2c(Cl)cc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2Cl)ncn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1cc(ncn1)Oc2c(cc(cc2Cl)NC(=O)Nc3cccc(c3)C(F)(F)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CNc1cc(ncn1)Oc2c(cc(cc2Cl)NC(=O)Nc3cccc(c3)C(F)(F)F)Cl |