種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C22H31Cl2N3O3/c23-16-20(28)25-11-1-2-17-7-12-27(13-8-17)21(29)22(9-14-30-15-10-22)26-19-5-3-18(24)4-6-19/h3-6,17,26H,1-2,7-16H2,(H,25,28) |
InChIKey | InChI | 1.06 | YDOPFLYDYZIKJH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)NCCCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3ccc(Cl)cc3 |
SMILES | CACTVS | 3.385 | ClCC(=O)NCCCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3ccc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC(CC3)CCCNC(=O)CCl)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC(CC3)CCCNC(=O)CCl)Cl |