LY1
Summary
| Name: | 8,9-DICHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[C]AZEPINE |
| Formula: | C10 H11 Cl2 N |
| Formal charge: | 0 |
| Formula weight: | 216.107 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |
| OpenEye OEToolkits | 1.5.0 | 8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1c2c(ccc1Cl)CCCNC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1ccc2CCCNCc2c1Cl |
| SMILES | CACTVS | 3.341 | Clc1ccc2CCCNCc2c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c2c1CCCNC2)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c2c1CCCNC2)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2 |
| InChIKey | InChI | 1.03 | IADAQXMUWITWNG-UHFFFAOYSA-N |
