6Y1
Summary
| Name: | ~{N}-(1-adamantyl)-2-selanyl-benzamide |
| Synonyms: | Adamantyl Ebselen (open form) |
| Formula: | C17 H21 N O Se |
| Formal charge: | 0 |
| Formula weight: | 334.315 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | ~{N}-(1-adamantyl)-2-selanyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H21NOSe/c19-16(14-3-1-2-4-15(14)20)18-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,20H,5-10H2,(H,18,19)/t11-,12+,13-,17- |
| InChIKey | InChI | 1.03 | CBUMZOCCFOYBIQ-FBBPANFNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [SeH]c1ccccc1C(=O)NC23CC4CC(CC(C4)C2)C3 |
| SMILES | CACTVS | 3.385 | [SeH]c1ccccc1C(=O)NC23CC4CC(CC(C4)C2)C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc(c(c1)C(=O)NC23CC4CC(C2)CC(C4)C3)[SeH] |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc(c(c1)C(=O)NC23CC4CC(C2)CC(C4)C3)[SeH] |
