ILQ
Summary
| Name: | (10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide |
| Formula: | C35 H42 Cl N5 O4 Si |
| Formal charge: | 0 |
| Formula weight: | 660.278 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (10~{R})-7-azanyl-~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C35H42ClN5O4Si/c1-39-26-10-13-29-32(22-26)46(2,3)31-21-25(38)9-12-28(31)35(29)30-20-24(8-11-27(30)34(43)41(35)23-37)33(42)40-15-17-45-19-18-44-16-7-5-4-6-14-36/h8-13,20-22,39H,4-7,14-19,38H2,1-3H3,(H,40,42)/t35-/m1/s1 |
| InChIKey | InChI | 1.06 | FJKIBVRSCRUAPC-PGUFJCEWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1ccc2c(c1)[Si](C)(C)c3cc(N)ccc3[C@@]24N(C#N)C(=O)c5ccc(cc45)C(=O)NCCOCCOCCCCCCCl |
| SMILES | CACTVS | 3.385 | CNc1ccc2c(c1)[Si](C)(C)c3cc(N)ccc3[C]24N(C#N)C(=O)c5ccc(cc45)C(=O)NCCOCCOCCCCCCCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1ccc2c(c1)[Si](c3cc(ccc3[C@]24c5cc(ccc5C(=O)N4C#N)C(=O)NCCOCCOCCCCCCCl)N)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1ccc2c(c1)[Si](c3cc(ccc3C24c5cc(ccc5C(=O)N4C#N)C(=O)NCCOCCOCCCCCCCl)N)(C)C |
