HUC
Summary
| Name: | 6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine |
| Formula: | C14 H17 Br Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 342.662 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H17BrClN3/c15-10-5-13(11-8-18-19-14(11)6-10)17-7-9-3-1-2-4-12(9)16/h5-6,8-9,12,17H,1-4,7H2,(H,18,19)/t9-,12-/m0/s1 |
| InChIKey | InChI | 1.03 | BLJSKYLBFPXWFR-CABZTGNLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cl[C@H]1CCCC[C@H]1CNc2cc(Br)cc3[nH]ncc23 |
| SMILES | CACTVS | 3.385 | Cl[CH]1CCCC[CH]1CNc2cc(Br)cc3[nH]ncc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c2c1[nH]nc2)NC[C@@H]3CCCC[C@@H]3Cl)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c2c1[nH]nc2)NCC3CCCCC3Cl)Br |
