種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | Clc1cccc(Cl)c1C(Nc2cc(ccc2C(=O)C)C)C(=O)N |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)c1ccc(C)cc1N[C@H](C(N)=O)c2c(Cl)cccc2Cl |
SMILES | CACTVS | 3.341 | CC(=O)c1ccc(C)cc1N[CH](C(N)=O)c2c(Cl)cccc2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(c(c1)N[C@@H](c2c(cccc2Cl)Cl)C(=O)N)C(=O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(c(c1)NC(c2c(cccc2Cl)Cl)C(=O)N)C(=O)C |
InChI | InChI | 1.03 | InChI=1S/C17H16Cl2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | CJPLEFFCVDQQFZ-INIZCTEOSA-N |