A1H9Q
Summary
| Name: | ~{N}-[(4-methoxyphenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline |
| Formula: | C20 H27 N3 O |
| Formal charge: | 0 |
| Formula weight: | 325.448 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(4-methoxyphenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H27N3O/c1-22-11-13-23(14-12-22)16-18-3-7-19(8-4-18)21-15-17-5-9-20(24-2)10-6-17/h3-10,21H,11-16H2,1-2H3 |
| InChIKey | InChI | 1.06 | YSXAQEWWCSLFQO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CNc2ccc(CN3CCN(C)CC3)cc2)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CNc2ccc(CN3CCN(C)CC3)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)Cc2ccc(cc2)NCc3ccc(cc3)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)Cc2ccc(cc2)NCc3ccc(cc3)OC |
