F99
Summary
| Name: | 1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one |
| Formula: | C16 H20 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 321.802 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2~{R},3~{S})-3-oxidanylpiperidin-2-yl]propan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H20ClN3O2/c1-10-12(17)4-5-14-16(10)19-9-20(14)8-11(21)7-13-15(22)3-2-6-18-13/h4-5,9,13,15,18,22H,2-3,6-8H2,1H3/t13-,15+/m1/s1 |
| InChIKey | InChI | 1.03 | QGJXLDZCSUOUAE-HIFRSBDPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(Cl)ccc2n(CC(=O)C[C@H]3NCCC[C@@H]3O)cnc12 |
| SMILES | CACTVS | 3.385 | Cc1c(Cl)ccc2n(CC(=O)C[CH]3NCCC[CH]3O)cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1ncn2CC(=O)C[C@@H]3[C@H](CCCN3)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1ncn2CC(=O)CC3C(CCCN3)O)Cl |
