G9I
Summary
| Name: | 2-{2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one |
| Synonyms: | 1-[2-(4-Pyrrolidin-1-ylmethyl-phenyl)-ethyl]-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6-one |
| Formula: | C23 H26 N4 O |
| Formal charge: | 0 |
| Formula weight: | 374.479 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 |
| SMILES_CANONICAL | CACTVS | 3.352 | O=C1NCCn2c(CCc3ccc(CN4CCCC4)cc3)nc5cccc1c25 |
| SMILES | CACTVS | 3.352 | O=C1NCCn2c(CCc3ccc(CN4CCCC4)cc3)nc5cccc1c25 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c3c(c1)nc(n3CCNC2=O)CCc4ccc(cc4)CN5CCCC5 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c3c(c1)nc(n3CCNC2=O)CCc4ccc(cc4)CN5CCCC5 |
| InChI | InChI | 1.03 | InChI=1S/C23H26N4O/c28-23-19-4-3-5-20-22(19)27(15-12-24-23)21(25-20)11-10-17-6-8-18(9-7-17)16-26-13-1-2-14-26/h3-9H,1-2,10-16H2,(H,24,28) |
| InChIKey | InChI | 1.03 | FBCLRDYKHNGUET-UHFFFAOYSA-N |
