A1JH2
Summary
| Name: | 1-[4-(2-adamantyl)phenyl]-3-(1-ethanoylpiperidin-4-yl)urea |
| Formula: | C24 H33 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 395.538 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(2-adamantyl)phenyl]-3-(1-ethanoylpiperidin-4-yl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H33N3O2/c1-15(28)27-8-6-22(7-9-27)26-24(29)25-21-4-2-18(3-5-21)23-19-11-16-10-17(13-19)14-20(23)12-16/h2-5,16-17,19-20,22-23H,6-14H2,1H3,(H2,25,26,29)/t16-,17+,19-,20+,23- |
| InChIKey | InChI | 1.06 | SEGFYQANHZCHJN-OYWIVZCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C3C4CC5CC(C4)CC3C5 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C3C4CC5CC(C4)CC3C5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C3C4CC5CC(C4)CC3C5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C3C4CC5CC(C4)CC3C5 |
