種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C22H29Cl2N3O3/c23-15-19(28)27-9-5-21(6-10-27)13-18(14-21)25-20(29)22(7-11-30-12-8-22)26-17-3-1-16(24)2-4-17/h1-4,18,26H,5-15H2,(H,25,29) |
InChIKey | InChI | 1.06 | RTEWATSQXQLGJD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)N1CCC2(CC1)CC(C2)NC(=O)C3(CCOCC3)Nc4ccc(Cl)cc4 |
SMILES | CACTVS | 3.385 | ClCC(=O)N1CCC2(CC1)CC(C2)NC(=O)C3(CCOCC3)Nc4ccc(Cl)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC2(CCOCC2)C(=O)NC3CC4(C3)CCN(CC4)C(=O)CCl)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC2(CCOCC2)C(=O)NC3CC4(C3)CCN(CC4)C(=O)CCl)Cl |