LWS
Summary
| Name: | 7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-2-one |
| Formula: | C15 H15 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 258.291 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H15FN2O/c1-15(2)10-7-9(12-5-4-6-18(12)3)8-11(16)13(10)17-14(15)19/h4-8H,1-3H3,(H,17,19) |
| InChIKey | InChI | 1.03 | HNCQSUFMNDUIEX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cccc1c2cc(F)c3NC(=O)C(C)(C)c3c2 |
| SMILES | CACTVS | 3.385 | Cn1cccc1c2cc(F)c3NC(=O)C(C)(C)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1(c2cc(cc(c2NC1=O)F)c3cccn3C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1(c2cc(cc(c2NC1=O)F)c3cccn3C)C |
