AD8
Summary
| Name: | 1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone |
| Synonyms: | 2-(1H-imidazol-1-yl)-1-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanone |
| Formula: | C15 H20 N2 O |
| Formal charge: | 0 |
| Formula weight: | 244.332 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(1H-imidazol-1-yl)-1-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanone |
| OpenEye OEToolkits | 1.5.0 | 1-(1-adamantyl)-2-imidazol-1-yl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C13CC2CC(CC(C1)C2)C3)Cn4ccnc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C(Cn1ccnc1)C23CC4CC(CC(C4)C2)C3 |
| SMILES | CACTVS | 3.341 | O=C(Cn1ccnc1)C23CC4CC(CC(C4)C2)C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cn(cn1)CC(=O)C23CC4CC(C2)CC(C4)C3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cn(cn1)CC(=O)C23CC4CC(C2)CC(C4)C3 |
| InChI | InChI | 1.03 | InChI=1S/C15H20N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-13H,3-9H2/t11-,12+,13-,15- |
| InChIKey | InChI | 1.03 | BBCQJSMDKDHVKG-BVMXXOESSA-N |
