種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | Clc1cc(cc(Cl)c1)NC(=O)C3CC(=O)N(C2CCCCC2)C3 |
SMILES_CANONICAL | CACTVS | 3.341 | Clc1cc(Cl)cc(NC(=O)[C@@H]2CN(C3CCCCC3)C(=O)C2)c1 |
SMILES | CACTVS | 3.341 | Clc1cc(Cl)cc(NC(=O)[CH]2CN(C3CCCCC3)C(=O)C2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(cc1Cl)Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(cc1Cl)Cl)NC(=O)C2CC(=O)N(C2)C3CCCCC3 |
InChI | InChI | 1.03 | InChI=1S/C17H20Cl2N2O2/c18-12-7-13(19)9-14(8-12)20-17(23)11-6-16(22)21(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,20,23)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | YUFADRZDHJKVOT-NSHDSACASA-N |