1IZ
Summary
| Name: | N-{[(1R,2S)-2-{2-[(pyridin-3-yl)oxy]ethyl}cyclohexyl]methyl}-3-(trifluoromethoxy)benzamide |
| Formula: | C22 H25 F3 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 422.441 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{[(1R,2S)-2-{2-[(pyridin-3-yl)oxy]ethyl}cyclohexyl]methyl}-3-(trifluoromethoxy)benzamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[(1~{R},2~{S})-2-(2-pyridin-3-yloxyethyl)cyclohexyl]methyl]-3-(trifluoromethyloxy)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)Oc1cccc(c1)C(=O)NCC1CCCCC1CCOc1cccnc1 |
| InChI | InChI | 1.03 | InChI=1S/C22H25F3N2O3/c23-22(24,25)30-19-8-3-7-17(13-19)21(28)27-14-18-6-2-1-5-16(18)10-12-29-20-9-4-11-26-15-20/h3-4,7-9,11,13,15-16,18H,1-2,5-6,10,12,14H2,(H,27,28)/t16-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | IERBKCIYEFEAOR-WMZOPIPTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)Oc1cccc(c1)C(=O)NC[C@@H]2CCCC[C@H]2CCOc3cccnc3 |
| SMILES | CACTVS | 3.385 | FC(F)(F)Oc1cccc(c1)C(=O)NC[CH]2CCCC[CH]2CCOc3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OC(F)(F)F)C(=O)NC[C@@H]2CCCC[C@H]2CCOc3cccnc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OC(F)(F)F)C(=O)NCC2CCCCC2CCOc3cccnc3 |
