A1H8J
Summary
| Name: | 4-[(4-methylpiperazin-1-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]aniline |
| Formula: | C20 H24 F3 N3 |
| Formal charge: | 0 |
| Formula weight: | 363.42 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(4-methylpiperazin-1-yl)methyl]-~{N}-[[4-(trifluoromethyl)phenyl]methyl]aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H24F3N3/c1-25-10-12-26(13-11-25)15-17-4-8-19(9-5-17)24-14-16-2-6-18(7-3-16)20(21,22)23/h2-9,24H,10-15H2,1H3 |
| InChIKey | InChI | 1.06 | UWUHFJDBLCVQMN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)Cc2ccc(NCc3ccc(cc3)C(F)(F)F)cc2 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)Cc2ccc(NCc3ccc(cc3)C(F)(F)F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)Cc2ccc(cc2)NCc3ccc(cc3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)Cc2ccc(cc2)NCc3ccc(cc3)C(F)(F)F |
