9N8
Summary
| Name: | 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide |
| Formula: | C17 H11 Br F N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 388.191 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H11BrFN3O2/c18-12-4-1-5-13(19)15(12)16(23)10-7-14(21-8-10)17(24)22-11-3-2-6-20-9-11/h1-9,21H,(H,22,24) |
| InChIKey | InChI | 1.03 | ATKCERYALDNMPL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(Br)c1C(=O)c2c[nH]c(c2)C(=O)Nc3cccnc3 |
| SMILES | CACTVS | 3.385 | Fc1cccc(Br)c1C(=O)c2c[nH]c(c2)C(=O)Nc3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)Br)C(=O)c2cc([nH]c2)C(=O)Nc3cccnc3)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)Br)C(=O)c2cc([nH]c2)C(=O)Nc3cccnc3)F |
