A1JPF
Summary
| Name: | 1-[4-(1-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-(1-adamantyl)phenyl]-3-(1-ethanoylpiperidin-4-yl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H33N3O2/c1-16(28)27-8-6-22(7-9-27)26-23(29)25-21-4-2-20(3-5-21)24-13-17-10-18(14-24)12-19(11-17)15-24/h2-5,17-19,22H,6-15H2,1H3,(H2,25,26,29)/t17-,18+,19-,24- |
| InChIKey | InChI | 1.06 | OCFWFANDWUZBKI-PCFUMONKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C34CC5CC(CC(C5)C3)C4 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C34CC5CC(CC(C5)C3)C4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C34CC5CC(C3)CC(C5)C4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C34CC5CC(C3)CC(C5)C4 |
