CGJ
Summary
| Name: | 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine |
| Formula: | C11 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 201.225 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine |
| OpenEye OEToolkits | 2.0.6 | 1-methyl-4,6-dihydro-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2OCc1nnc(n1c3c2cccc3)C |
| InChI | InChI | 1.03 | InChI=1S/C11H11N3O/c1-8-12-13-11-7-15-6-9-4-2-3-5-10(9)14(8)11/h2-5H,6-7H2,1H3 |
| InChIKey | InChI | 1.03 | HEEIZXCFEVISIX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nnc2COCc3ccccc3n12 |
| SMILES | CACTVS | 3.385 | Cc1nnc2COCc3ccccc3n12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nnc2n1-c3ccccc3COC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nnc2n1-c3ccccc3COC2 |
