VBU
Summary
| Name: | 3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine |
| Synonyms: | Clozapine |
| Formula: | C18 H19 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 326.823 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 |
| InChIKey | InChI | 1.06 | QZUDBNBUXVUHMW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl |
