GIK
Summary
| Name: | ~{N}-[4-[[6-(3-chloranylpyridin-4-yl)-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexyl]ethanamide |
| Formula: | C21 H23 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 398.886 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-[[6-(3-chloranylpyridin-4-yl)-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H23ClN4O2/c1-12-21-19(26-25-12)9-14(17-7-8-23-11-18(17)22)10-20(21)28-16-5-3-15(4-6-16)24-13(2)27/h7-11,15-16H,3-6H2,1-2H3,(H,24,27)(H,25,26)/t15-,16- |
| InChIKey | InChI | 1.03 | VCIOFIORKGNIFB-WKILWMFISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@H]1CC[C@@H](CC1)Oc2cc(cc3[nH]nc(C)c23)c4ccncc4Cl |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1CC[CH](CC1)Oc2cc(cc3[nH]nc(C)c23)c4ccncc4Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(cc(cc2OC3CCC(CC3)NC(=O)C)c4ccncc4Cl)[nH]n1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(cc(cc2OC3CCC(CC3)NC(=O)C)c4ccncc4Cl)[nH]n1 |
