VCF
Summary
| Name: | 2-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine |
| Synonyms: | VUF-6884 |
| Formula: | C18 H18 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 327.808 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-12-13(19)6-7-15(17)20-18/h2-7,12H,8-11H2,1H3 |
| InChIKey | InChI | 1.06 | FSRSEANZUZHDHK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)C2=Nc3ccc(Cl)cc3Oc4ccccc24 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)C2=Nc3ccc(Cl)cc3Oc4ccccc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)C2=Nc3ccc(cc3Oc4c2cccc4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)C2=Nc3ccc(cc3Oc4c2cccc4)Cl |
