B7T
Summary
| Name: | (1r,4r)-4-methoxy-6'-(5-methyl-3-pyridinyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-[1,3]oxazol]-2''-amine |
| Formula: | C23 H27 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 377.479 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H27N3O2/c1-15-9-18(13-25-12-15)16-3-4-17-11-22(7-5-19(27-2)6-8-22)23(20(17)10-16)14-28-21(24)26-23/h3-4,9-10,12-13,19H,5-8,11,14H2,1-2H3,(H2,24,26)/t19-,22-,23-/m0/s1 |
| InChIKey | InChI | 1.03 | XMEKMASQQBIQCX-VJBMBRPKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1CC[C@@]2(CC1)Cc3ccc(cc3[C@@]24COC(=N4)N)c5cncc(C)c5 |
| SMILES | CACTVS | 3.385 | CO[CH]1CC[C]2(CC1)Cc3ccc(cc3[C]24COC(=N4)N)c5cncc(C)c5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(cnc1)c2ccc3c(c2)[C@@]4(COC(=N4)N)C5(C3)CCC(CC5)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(cnc1)c2ccc3c(c2)C4(COC(=N4)N)C5(C3)CCC(CC5)OC |
