HLH
Summary
| Name: | 2-heptyl-1~{H}-quinolin-4-one |
| Formula: | C16 H21 N O |
| Formal charge: | 0 |
| Formula weight: | 243.344 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-heptyl-1~{H}-quinolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18) |
| InChIKey | InChI | 1.03 | UYRHHBXYXSYGHA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC1=CC(=O)c2ccccc2N1 |
| SMILES | CACTVS | 3.385 | CCCCCCCC1=CC(=O)c2ccccc2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCCCC1=CC(=O)c2ccccc2N1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCCC1=CC(=O)c2ccccc2N1 |
