Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C34H44ClN3O3Si/c1-24-21-25(34(39)38-16-18-41-20-19-40-17-8-6-5-7-15-35)9-12-28(24)33-29-13-10-26(36)22-31(29)42(3,4)32-23-27(37-2)11-14-30(32)33/h9-14,21-23H,5-8,15-20,36H2,1-4H3,(H,38,39)/b37-27+ |
InChIKey | InChI | 1.06 | JCDPTWLYDNGHLA-NXEFEZKASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN=C1C=CC2=C(c3ccc(cc3C)C(=O)NCCOCCOCCCCCCCl)c4ccc(N)cc4[Si](C)(C)C2=C1 |
SMILES | CACTVS | 3.385 | CN=C1C=CC2=C(c3ccc(cc3C)C(=O)NCCOCCOCCCCCCCl)c4ccc(N)cc4[Si](C)(C)C2=C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1C2=C3C=CC(=NC)C=C3[Si](c4c2ccc(c4)N)(C)C)C(=O)NCCOCCOCCCCCCCl |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1C2=C3C=CC(=NC)C=C3[Si](c4c2ccc(c4)N)(C)C)C(=O)NCCOCCOCCCCCCCl |