HU9
Summary
| Name: | (1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol |
| Formula: | C14 H18 Br N3 O |
| Formal charge: | 0 |
| Formula weight: | 324.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H18BrN3O/c15-11-5-6-12-10(8-17-18-12)14(11)16-7-9-3-1-2-4-13(9)19/h5-6,8-9,13,16,19H,1-4,7H2,(H,17,18)/t9-,13+/m0/s1 |
| InChIKey | InChI | 1.03 | UQMKMSCULIEFQV-TVQRCGJNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CCCC[C@H]1CNc2c(Br)ccc3[nH]ncc23 |
| SMILES | CACTVS | 3.385 | O[CH]1CCCC[CH]1CNc2c(Br)ccc3[nH]ncc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c2c1[nH]nc2)NC[C@@H]3CCCC[C@H]3O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c2c1[nH]nc2)NCC3CCCCC3O)Br |
