Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(Cl)c1C2CCN(CC2)CC4CC(O)c3cccc(c3CC4)C |
InChI | InChI | 1.03 | InChI=1S/C24H29Cl2NO/c1-16-4-2-5-20-19(16)9-8-17(14-23(20)28)15-27-12-10-18(11-13-27)24-21(25)6-3-7-22(24)26/h2-7,17-18,23,28H,8-15H2,1H3/t17-,23-/m0/s1 |
InChIKey | InChI | 1.03 | OHRDCQFCAWLDBP-SBUREZEXSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc2[C@@H](O)C[C@H](CCc12)CN3CC[C@@H](CC3)c4c(Cl)cccc4Cl |
SMILES | CACTVS | 3.385 | Cc1cccc2[CH](O)C[CH](CCc12)CN3CC[CH](CC3)c4c(Cl)cccc4Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cccc2c1CC[C@@H](C[C@@H]2O)CN3CCC(CC3)c4c(cccc4Cl)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cccc2c1CCC(CC2O)CN3CCC(CC3)c4c(cccc4Cl)Cl |