KRB
Summary
| Name: | KURASOIN B |
| Synonyms: | 1-(2H-INDOL-3-YL)-4-PHENYL-BUTANE-2,3-DIONE |
| Formula: | C18 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 277.317 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(1H-indol-3-yl)-4-phenylbutane-2,3-dione |
| OpenEye OEToolkits | 1.5.0 | 1-(1H-indol-3-yl)-4-phenyl-butane-2,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C(=O)Cc2c1ccccc1nc2)Cc3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C(Cc1ccccc1)C(=O)Cc2c[nH]c3ccccc23 |
| SMILES | CACTVS | 3.341 | O=C(Cc1ccccc1)C(=O)Cc2c[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(=O)C(=O)Cc2c[nH]c3c2cccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(=O)C(=O)Cc2c[nH]c3c2cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H15NO2/c20-17(10-13-6-2-1-3-7-13)18(21)11-14-12-19-16-9-5-4-8-15(14)16/h1-9,12,19H,10-11H2 |
| InChIKey | InChI | 1.03 | AWNMAACWZSNOOV-UHFFFAOYSA-N |
