I06
Summary
| Name: | 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-1,4-DIONE |
| Formula: | C16 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 266.295 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(2-phenylethyl)-2,3-dihydrophthalazine-1,4-dione |
| OpenEye OEToolkits | 1.5.0 | 3-phenethyl-2H-phthalazine-1,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1c(cccc1)C(=O)N(N2)CCc3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1NN(CCc2ccccc2)C(=O)c3ccccc13 |
| SMILES | CACTVS | 3.341 | O=C1NN(CCc2ccccc2)C(=O)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCN2C(=O)c3ccccc3C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCN2C(=O)c3ccccc3C(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C16H14N2O2/c19-15-13-8-4-5-9-14(13)16(20)18(17-15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,19) |
| InChIKey | InChI | 1.03 | JSSVIGGKHIJEHO-UHFFFAOYSA-N |
