A1JHL
Summary
| Name: | (2~{S})-~{N}-[2,2-bis(fluoranyl)ethyl]-2-(2,3-dihydro-1~{H}-isoindol-5-ylamino)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamide |
| Formula: | C20 H20 F5 N3 O |
| Formal charge: | 0 |
| Formula weight: | 413.384 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-~{N}-[2,2-bis(fluoranyl)ethyl]-2-(2,3-dihydro-1~{H}-isoindol-5-ylamino)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H20F5N3O/c1-11-4-13(6-15(5-11)20(23,24)25)18(19(29)27-10-17(21)22)28-16-3-2-12-8-26-9-14(12)7-16/h2-7,17-18,26,28H,8-10H2,1H3,(H,27,29)/t18-/m0/s1 |
| InChIKey | InChI | 1.06 | DXHLVVVVEFLCRN-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(cc(c1)C(F)(F)F)[C@H](Nc2ccc3CNCc3c2)C(=O)NCC(F)F |
| SMILES | CACTVS | 3.385 | Cc1cc(cc(c1)C(F)(F)F)[CH](Nc2ccc3CNCc3c2)C(=O)NCC(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)C(F)(F)F)[C@@H](C(=O)NCC(F)F)Nc2ccc3c(c2)CNC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)C(F)(F)F)C(C(=O)NCC(F)F)Nc2ccc3c(c2)CNC3 |
