A1BKT
Summary
| Name: | 4-[(4R)-5H,11H-[1,2,4]triazolo[3,4-c][1,4]benzoxazepin-3-yl]phenol |
| Formula: | C16 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 279.293 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-[(4R)-5H,11H-[1,2,4]triazolo[3,4-c][1,4]benzoxazepin-3-yl]phenol |
| OpenEye OEToolkits | 3.1.0.0 | 4-(4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepin-1-yl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Oc1ccc(cc1)c1nnc2COc3ccccc3Cn21 |
| InChI | InChI | 1.06 | InChI=1S/C16H13N3O2/c20-13-7-5-11(6-8-13)16-18-17-15-10-21-14-4-2-1-3-12(14)9-19(15)16/h1-8,20H,9-10H2 |
| InChIKey | InChI | 1.06 | YIVKZBDNZIXFKW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)c2nnc3COc4ccccc4Cn23 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1)c2nnc3COc4ccccc4Cn23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)Cn3c(nnc3c4ccc(cc4)O)CO2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)Cn3c(nnc3c4ccc(cc4)O)CO2 |
