89H
Summary
| Name: | 6-(cyclopropylmethoxy)phthalazine-1,4-dione |
| Formula: | C12 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 230.219 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-(cyclopropylmethoxy)phthalazine-1,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H10N2O3/c15-11-9-4-3-8(17-6-7-1-2-7)5-10(9)12(16)14-13-11/h3-5,7H,1-2,6H2 |
| InChIKey | InChI | 1.06 | OIWRUONPGXPTOV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1N=NC(=O)c2cc(OCC3CC3)ccc12 |
| SMILES | CACTVS | 3.385 | O=C1N=NC(=O)c2cc(OCC3CC3)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1OCC3CC3)C(=O)N=NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1OCC3CC3)C(=O)N=NC2=O |
