UV1
Summary
| Name: | 6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one |
| Formula: | C11 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 191.226 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one |
| OpenEye OEToolkits | 2.0.7 | 6-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c1NC(CCCc1c(OC)cc2)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO2/c1-14-10-6-3-5-9-8(10)4-2-7-11(13)12-9/h3,5-6H,2,4,7H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | NEMWEYAZCVDHEF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc2NC(=O)CCCc12 |
| SMILES | CACTVS | 3.385 | COc1cccc2NC(=O)CCCc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc2c1CCCC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc2c1CCCC(=O)N2 |
