種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | Fc4ccccc4Oc3ccc1c(nnc1c2ccccc2Cl)c3 |
SMILES_CANONICAL | CACTVS | 3.341 | Fc1ccccc1Oc2ccc3c([nH]nc3c2)c4ccccc4Cl |
SMILES | CACTVS | 3.341 | Fc1ccccc1Oc2ccc3c([nH]nc3c2)c4ccccc4Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2c3ccc(cc3n[nH]2)Oc4ccccc4F)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2c3ccc(cc3n[nH]2)Oc4ccccc4F)Cl |
InChI | InChI | 1.03 | InChI=1S/C19H12ClFN2O/c20-15-6-2-1-5-13(15)19-14-10-9-12(11-17(14)22-23-19)24-18-8-4-3-7-16(18)21/h1-11H,(H,22,23) |
InChIKey | InChI | 1.03 | QDPZIIDGFJHLRY-UHFFFAOYSA-N |