A1LX6
Summary
| Name: | (1S)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine |
| Synonyms: | Nefopam |
| Formula: | C17 H19 N O |
| Formal charge: | 0 |
| Formula weight: | 253.339 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3/t17-/m0/s1 |
| InChIKey | InChI | 1.06 | RGPDEAGGEXEMMM-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCO[C@@H](c2ccccc2)c3ccccc3C1 |
| SMILES | CACTVS | 3.385 | CN1CCO[CH](c2ccccc2)c3ccccc3C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCO[C@H](c2ccccc2C1)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCOC(c2ccccc2C1)c3ccccc3 |
