A1ICH
Summary
| Name: | ~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline |
| Formula: | C19 H23 F2 N3 |
| Formal charge: | 0 |
| Formula weight: | 331.403 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H23F2N3/c1-23-8-10-24(11-9-23)14-15-2-6-18(7-3-15)22-13-16-4-5-17(20)12-19(16)21/h2-7,12,22H,8-11,13-14H2,1H3 |
| InChIKey | InChI | 1.06 | KZQGQNIDRAAHOA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)Cc2ccc(NCc3ccc(F)cc3F)cc2 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)Cc2ccc(NCc3ccc(F)cc3F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)Cc2ccc(cc2)NCc3ccc(cc3F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)Cc2ccc(cc2)NCc3ccc(cc3F)F |
