A92
Summary
| Name: | 2-{2-fluoro-4-[(2S)-piperidin-2-yl]phenyl}-1H-benzimidazole-7-carboxamide |
| Formula: | C19 H19 F N4 O |
| Formal charge: | 0 |
| Formula weight: | 338.379 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]-3H-benzimidazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | NC(=O)c1cccc2nc([nH]c12)c3ccc(cc3F)[C@@H]4CCCCN4 |
| SMILES | CACTVS | 3.352 | NC(=O)c1cccc2nc([nH]c12)c3ccc(cc3F)[CH]4CCCCN4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c2c(c1)nc([nH]2)c3ccc(cc3F)[C@@H]4CCCCN4)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c2c(c1)nc([nH]2)c3ccc(cc3F)C4CCCCN4)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C19H19FN4O/c20-14-10-11(15-5-1-2-9-22-15)7-8-12(14)19-23-16-6-3-4-13(18(21)25)17(16)24-19/h3-4,6-8,10,15,22H,1-2,5,9H2,(H2,21,25)(H,23,24)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | LGVIXHMVSRYWJL-HNNXBMFYSA-N |
