J7M
Summary
| Name: | 4-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one |
| Formula: | C19 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 321.373 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one |
| OpenEye OEToolkits | 2.0.7 | 4-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydro-1,4-benzoxazepin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cn1c2ccccc2nc1CCN1CCOc2ccccc2C1=O |
| InChI | InChI | 1.03 | InChI=1S/C19H19N3O2/c1-21-16-8-4-3-7-15(16)20-18(21)10-11-22-12-13-24-17-9-5-2-6-14(17)19(22)23/h2-9H,10-13H2,1H3 |
| InChIKey | InChI | 1.03 | QIXOTKYBSGRICV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c(CCN2CCOc3ccccc3C2=O)nc4ccccc14 |
| SMILES | CACTVS | 3.385 | Cn1c(CCN2CCOc3ccccc3C2=O)nc4ccccc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c2ccccc2nc1CCN3CCOc4ccccc4C3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c2ccccc2nc1CCN3CCOc4ccccc4C3=O |
