6SK
Summary
| Name: | (3~{S},3'~{S},4'~{S})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one |
| Formula: | C22 H25 Cl2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 418.359 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (3~{S},3'~{S},4'~{S})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H25Cl2N3O/c1-21(2,3)12-27-11-17(25)19(13-5-4-6-14(23)9-13)22(27)16-8-7-15(24)10-18(16)26-20(22)28/h4-10,17,19H,11-12,25H2,1-3H3,(H,26,28)/t17-,19+,22-/m1/s1 |
| InChIKey | InChI | 1.03 | CWDGHXCEKKZGEC-ZWCUEREDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)CN1C[C@@H](N)[C@H](c2cccc(Cl)c2)[C@]13C(=O)Nc4cc(Cl)ccc34 |
| SMILES | CACTVS | 3.385 | CC(C)(C)CN1C[CH](N)[CH](c2cccc(Cl)c2)[C]13C(=O)Nc4cc(Cl)ccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC(C)(C)CN1C[C@H]([C@@H]([C@@]12c3ccc(cc3NC2=O)Cl)c4cccc(c4)Cl)N |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC(C)(C)CN1CC(C(C12c3ccc(cc3NC2=O)Cl)c4cccc(c4)Cl)N |
