A1JOI
Summary
| Name: | [(2~{S},3~{R})-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl] ~{N}-phenylcarbamate |
| Formula: | C20 H23 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 337.416 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{R})-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl] ~{N}-phenylcarbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H23N3O2/c24-20(22-17-6-2-1-3-7-17)25-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19+/m0/s1 |
| InChIKey | InChI | 1.06 | PMTJTOSHJSYWNV-RBUKOAKNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccccc1)O[C@@H]2C3CCN(CC3)[C@H]2Cc4cccnc4 |
| SMILES | CACTVS | 3.385 | O=C(Nc1ccccc1)O[CH]2C3CCN(CC3)[CH]2Cc4cccnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)O[C@H]2[C@@H](N3CCC2CC3)Cc4cccnc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)OC2C3CCN(C2Cc4cccnc4)CC3 |
