Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C25H35Cl2N3O3/c1-18-15-25(16-19(2)33-18,28-21-5-3-20(27)4-6-21)23(32)30-13-9-24(10-14-30)7-11-29(12-8-24)22(31)17-26/h3-6,18-19,28H,7-17H2,1-2H3/t18-,19+,25+ |
InChIKey | InChI | 1.06 | JLJRLKQYLPGKGI-XMZFGDCGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CC(C[C@@H](C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CCC4(CCN(CC4)C(=O)CCl)CC3 |
SMILES | CACTVS | 3.385 | C[CH]1CC(C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CCC4(CCN(CC4)C(=O)CCl)CC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CC(C[C@@H](O1)C)(C(=O)N2CCC3(CCN(CC3)C(=O)CCl)CC2)Nc4ccc(cc4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(CC(O1)C)(C(=O)N2CCC3(CCN(CC3)C(=O)CCl)CC2)Nc4ccc(cc4)Cl |