1T4
Summary
| Name: | N-(pyren-1-yl)acetamide |
| Formula: | C18 H13 N O |
| Formal charge: | 0 |
| Formula weight: | 259.302 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(pyren-1-yl)acetamide |
| OpenEye OEToolkits | 1.7.6 | N-pyren-1-ylethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc4ccc2ccc1cccc3c1c2c4cc3)C |
| InChI | InChI | 1.03 | InChI=1S/C18H13NO/c1-11(20)19-16-10-8-14-6-5-12-3-2-4-13-7-9-15(16)18(14)17(12)13/h2-10H,1H3,(H,19,20) |
| InChIKey | InChI | 1.03 | GJNGMQYHOZFQNX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)Nc1ccc2ccc3cccc4ccc1c2c34 |
| SMILES | CACTVS | 3.370 | CC(=O)Nc1ccc2ccc3cccc4ccc1c2c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1ccc2ccc3cccc4c3c2c1cc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1ccc2ccc3cccc4c3c2c1cc4 |
