AWP
Summary
| Name: | 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea |
| Formula: | C14 H21 N3 O |
| Formal charge: | 0 |
| Formula weight: | 247.336 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H21N3O/c18-14(17-13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12/h6-7,9-10,13H,1-5,8,11H2,(H2,16,17,18) |
| InChIKey | InChI | 1.03 | XUPGANVQJLTRNJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCc1ccncc1)NC2CCCCC2 |
| SMILES | CACTVS | 3.385 | O=C(NCCc1ccncc1)NC2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnccc1CCNC(=O)NC2CCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnccc1CCNC(=O)NC2CCCCC2 |
