P3R
Summary
| Name: | (5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one |
| Formula: | C14 H19 N O3 |
| Formal charge: | 0 |
| Formula weight: | 249.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H19NO3/c1-9-11-8-13(18-4)12(17-3)7-10(11)5-6-15(2)14(9)16/h7-9H,5-6H2,1-4H3/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | PREGEFBQCOFCDI-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2CCN(C)C(=O)[C@H](C)c2cc1OC |
| SMILES | CACTVS | 3.385 | COc1cc2CCN(C)C(=O)[CH](C)c2cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H]1c2cc(c(cc2CCN(C1=O)C)OC)OC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1c2cc(c(cc2CCN(C1=O)C)OC)OC |
