種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C21H29Cl2N3O3/c22-15-19(27)24-10-5-16-6-11-26(12-7-16)20(28)21(8-13-29-14-9-21)25-18-3-1-17(23)2-4-18/h1-4,16,25H,5-15H2,(H,24,27) |
InChIKey | InChI | 1.06 | CERKFXQSEPXGMS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3ccc(Cl)cc3 |
SMILES | CACTVS | 3.385 | ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3ccc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC(CC3)CCNC(=O)CCl)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC(CC3)CCNC(=O)CCl)Cl |