WEC
Summary
| Name: | 11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine |
| Formula: | C18 H20 N4 |
| Formal charge: | 0 |
| Formula weight: | 292.378 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine |
| OpenEye OEToolkits | 2.0.7 | 6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |
| InChI | InChI | 1.06 | InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3 |
| InChIKey | InChI | 1.06 | VQHITFFJBFOMBG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)C2=Nc3ccccc3Nc4ccccc24 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)C2=Nc3ccccc3Nc4ccccc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)C2=Nc3ccccc3Nc4c2cccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)C2=Nc3ccccc3Nc4c2cccc4 |
