P4M
Summary
| Name: | 7,8-dimethoxy-3-methyl-1~{H}-3-benzazepin-2-one |
| Synonyms: | 7,8-dimethoxy-3-methyl-1,3-dihydro-2H-benzo[d]azepin-2-one |
| Formula: | C13 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 233.263 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 7,8-dimethoxy-3-methyl-1~{H}-3-benzazepin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H15NO3/c1-14-5-4-9-6-11(16-2)12(17-3)7-10(9)8-13(14)15/h4-7H,8H2,1-3H3 |
| InChIKey | InChI | 1.06 | SNBSBSFGIKHBLT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2CC(=O)N(C)C=Cc2cc1OC |
| SMILES | CACTVS | 3.385 | COc1cc2CC(=O)N(C)C=Cc2cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN1C=Cc2cc(c(cc2CC1=O)OC)OC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN1C=Cc2cc(c(cc2CC1=O)OC)OC |
