E7Q
Summary
| Name: | ~{N}-[(3~{S})-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-~{N}-oxidanyl-hexanamide |
| Formula: | C16 H19 Cl N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 338.786 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(3~{S})-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-~{N}-oxidanyl-hexanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H19ClN2O4/c1-2-3-4-5-14(20)19(23)13-10-15(21)18(16(13)22)12-8-6-11(17)7-9-12/h6-9,13,23H,2-5,10H2,1H3/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | ZAMVBYSBDZJLIX-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC(=O)N(O)[C@H]1CC(=O)N(C1=O)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | CCCCCC(=O)N(O)[CH]1CC(=O)N(C1=O)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCC(=O)N([C@H]1CC(=O)N(C1=O)c2ccc(cc2)Cl)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCC(=O)N(C1CC(=O)N(C1=O)c2ccc(cc2)Cl)O |
