種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | Clc1cc(c(O)c(Cl)c1)\C=N/NC(=O)c2c3cc(Br)ccc3nc(c2)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(C(=O)N\N=C/c2cc(Cl)cc(Cl)c2O)c3cc(Br)ccc3n1 |
SMILES | CACTVS | 3.341 | Cc1cc(C(=O)NN=Cc2cc(Cl)cc(Cl)c2O)c3cc(Br)ccc3n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(c2cc(ccc2n1)Br)C(=O)N/N=C\c3cc(cc(c3O)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(c2cc(ccc2n1)Br)C(=O)NN=Cc3cc(cc(c3O)Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C18H12BrCl2N3O2/c1-9-4-14(13-6-11(19)2-3-16(13)23-9)18(26)24-22-8-10-5-12(20)7-15(21)17(10)25/h2-8,25H,1H3,(H,24,26)/b22-8- |
InChIKey | InChI | 1.03 | JOLMQMRBSITJES-UYOCIXKTSA-N |