HK6
Summary
| Name: | 8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one |
| Formula: | C13 H9 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 244.676 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one |
| OpenEye OEToolkits | 1.7.6 | 3-chloranyl-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc3cc1c(Nc2c(C(=O)N1)cccc2)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C13H9ClN2O/c14-8-5-6-11-12(7-8)16-13(17)9-3-1-2-4-10(9)15-11/h1-7,15H,(H,16,17) |
| InChIKey | InChI | 1.03 | YVWNDABPZGGQFE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Clc1ccc2Nc3ccccc3C(=O)Nc2c1 |
| SMILES | CACTVS | 3.370 | Clc1ccc2Nc3ccccc3C(=O)Nc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)Nc3cc(ccc3N2)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)Nc3cc(ccc3N2)Cl |
