A1CWJ
Summary
| Name: | (2S)-2-methyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one |
| Formula: | C10 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 177.2 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2S)-2-methyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-2-methyl-3,5-dihydro-2~{H}-1,5-benzoxazepin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1Nc2ccccc2OC(C)C1 |
| InChI | InChI | 1.06 | InChI=1S/C10H11NO2/c1-7-6-10(12)11-8-4-2-3-5-9(8)13-7/h2-5,7H,6H2,1H3,(H,11,12)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | ZPCZQESAHAVOLW-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CC(=O)Nc2ccccc2O1 |
| SMILES | CACTVS | 3.385 | C[CH]1CC(=O)Nc2ccccc2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H]1CC(=O)Nc2ccccc2O1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1CC(=O)Nc2ccccc2O1 |
