JPY
Summary
| Name: | N-(pyren-1-ylmethyl)acetamide |
| Formula: | C19 H15 N O |
| Formal charge: | 0 |
| Formula weight: | 273.329 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(pyren-1-ylmethyl)acetamide |
| OpenEye OEToolkits | 1.7.6 | N-(pyren-1-ylmethyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCc4ccc2ccc1cccc3c1c2c4cc3)C |
| InChI | InChI | 1.03 | InChI=1S/C19H15NO/c1-12(21)20-11-16-8-7-15-6-5-13-3-2-4-14-9-10-17(16)19(15)18(13)14/h2-10H,11H2,1H3,(H,20,21) |
| InChIKey | InChI | 1.03 | IGDIETIXWIPXQF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCc1ccc2ccc3cccc4ccc1c2c34 |
| SMILES | CACTVS | 3.385 | CC(=O)NCc1ccc2ccc3cccc4ccc1c2c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)NCc1ccc2ccc3cccc4c3c2c1cc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)NCc1ccc2ccc3cccc4c3c2c1cc4 |
