B7E
Summary
| Name: | compound 28 |
| Formula: | C22 H26 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 378.467 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/C22H26N4O2/c1-14-8-21(6-5-19(14)27-2)9-16-4-3-15(17-10-24-13-25-11-17)7-18(16)22(21)12-28-20(23)26-22/h3-4,7,10-11,13-14,19H,5-6,8-9,12H2,1-2H3,(H2,23,26)/t14-,19-,21-,22-/m0/s1 |
| InChIKey | InChI | 1.03 | LNZBKHMXPFCMOB-GLYDZZHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1CC[C@]2(C[C@@H]1C)Cc3ccc(cc3[C@@]24COC(=N4)N)c5cncnc5 |
| SMILES | CACTVS | 3.385 | CO[CH]1CC[C]2(C[CH]1C)Cc3ccc(cc3[C]24COC(=N4)N)c5cncnc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]1C[C@@]2(CC[C@@H]1OC)Cc3ccc(cc3[C@@]24COC(=N4)N)c5cncnc5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1CC2(CCC1OC)Cc3ccc(cc3C24COC(=N4)N)c5cncnc5 |
