種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C20H27Cl2N3O3/c21-13-18(26)24-14-15-5-11-25(12-6-15)19(27)20(7-9-23-10-8-20)28-17-3-1-16(22)2-4-17/h1-4,15,23H,5-14H2,(H,24,26) |
InChIKey | InChI | 1.06 | XLXIHGVMOSYPHT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Oc3ccc(Cl)cc3 |
SMILES | CACTVS | 3.385 | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Oc3ccc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1OC2(CCNCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl |
SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1OC2(CCNCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl |