種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C25H15ClF3N5O3/c26-19-5-3-14(12-18(19)25(27,28)29)32-24(36)33-15-4-6-20-21(13-15)37-22-17(2-1-9-31-22)23(35)34(20)16-7-10-30-11-8-16/h1-13H,(H2,32,33,36) |
InChIKey | InChI | 1.03 | NQHGDUGVQSAKOR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cc(NC(=O)Nc2ccc3N(C(=O)c4cccnc4Oc3c2)c5ccncc5)ccc1Cl |
SMILES | CACTVS | 3.385 | FC(F)(F)c1cc(NC(=O)Nc2ccc3N(C(=O)c4cccnc4Oc3c2)c5ccncc5)ccc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(nc1)Oc3cc(ccc3N(C2=O)c4ccncc4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(nc1)Oc3cc(ccc3N(C2=O)c4ccncc4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl |