G9F
Summary
| Name: | 2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one |
| Synonyms: | 1-[4-(3-Dimethylamino-propoxy)-phenyl]-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6 |
| Formula: | C21 H24 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 364.441 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 |
| SMILES_CANONICAL | CACTVS | 3.352 | CN(C)CCCOc1ccc(cc1)c2nc3cccc4C(=O)NCCn2c34 |
| SMILES | CACTVS | 3.352 | CN(C)CCCOc1ccc(cc1)c2nc3cccc4C(=O)NCCn2c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(C)CCCOc1ccc(cc1)c2nc3cccc4c3n2CCNC4=O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN(C)CCCOc1ccc(cc1)c2nc3cccc4c3n2CCNC4=O |
| InChI | InChI | 1.03 | InChI=1S/C21H24N4O2/c1-24(2)12-4-14-27-16-9-7-15(8-10-16)20-23-18-6-3-5-17-19(18)25(20)13-11-22-21(17)26/h3,5-10H,4,11-14H2,1-2H3,(H,22,26) |
| InChIKey | InChI | 1.03 | MTJCJUPJHXRBGL-UHFFFAOYSA-N |
