JEU
Summary
| Name: | 5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile |
| Formula: | C23 H24 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 404.462 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1 |
| InChIKey | InChI | 1.03 | XRVDGNKRPOAQTN-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1ccc(cc1C#N)c2onc(n2)c3cccc4[C@H](CCc34)NCCO |
| SMILES | CACTVS | 3.385 | CC(C)Oc1ccc(cc1C#N)c2onc(n2)c3cccc4[CH](CCc34)NCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc(cc1C#N)c2nc(no2)c3cccc4c3CC[C@@H]4NCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc(cc1C#N)c2nc(no2)c3cccc4c3CCC4NCCO |
