Y5E
Summary
| Name: | mepyramine |
| Synonyms: | ~{N}'-[(4-methoxyphenyl)methyl]-~{N},~{N}-dimethyl-~{N}'-pyridin-2-yl-ethane-1,2-diamine |
| Formula: | C17 H23 N3 O |
| Formal charge: | 0 |
| Formula weight: | 285.384 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}'-[(4-methoxyphenyl)methyl]-~{N},~{N}-dimethyl-~{N}'-pyridin-2-yl-ethane-1,2-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3 |
| InChIKey | InChI | 1.06 | YECBIJXISLIIDS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCN(Cc1ccc(cc1)OC)c2ccccn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCN(Cc1ccc(cc1)OC)c2ccccn2 |
