8BW
Summary
| Name: | 6-(cyclobutylmethoxy)phthalazine-1,4-dione |
| Formula: | C13 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 244.246 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-(cyclobutylmethoxy)phthalazine-1,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H12N2O3/c16-12-10-5-4-9(18-7-8-2-1-3-8)6-11(10)13(17)15-14-12/h4-6,8H,1-3,7H2 |
| InChIKey | InChI | 1.06 | NWOORGOMYQAWAE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1N=NC(=O)c2cc(OCC3CCC3)ccc12 |
| SMILES | CACTVS | 3.385 | O=C1N=NC(=O)c2cc(OCC3CCC3)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1OCC3CCC3)C(=O)N=NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1OCC3CCC3)C(=O)N=NC2=O |
