H92
Summary
| Name: | 4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide |
| Formula: | C18 H18 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 311.353 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H18FN3O/c19-17-15(10-1-3-11(4-2-10)18(20)23)7-12(9-21-17)14-8-13-5-6-16(14)22-13/h1-4,7,9,13-14,16,22H,5-6,8H2,(H2,20,23)/t13-,14+,16+/m0/s1 |
| InChIKey | InChI | 1.03 | QGEMISSKSNIODJ-SQWLQELKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc(cc1)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc(cc1)c2cc(cnc2F)[CH]3C[CH]4CC[CH]3N4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cc(cnc2F)C3CC4CCC3N4)C(=O)N |
