WUQ
Summary
| Name: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one |
| Formula: | C20 H19 F3 N4 O |
| Formal charge: | 0 |
| Formula weight: | 388.386 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H19F3N4O/c1-12-8-19(9-12,18-26-25-11-27(18)2)14-5-3-4-13(6-14)16-7-15(20(21,22)23)10-24-17(16)28/h3-7,10-12H,8-9H2,1-2H3,(H,24,28)/t12-,19+ |
| InChIKey | InChI | 1.06 | NNRHRDJYTZZMMS-HHCCDPJTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1C[C@@](C1)(c2cccc(c2)C3=CC(=CNC3=O)C(F)(F)F)c4nncn4C |
| SMILES | CACTVS | 3.385 | C[CH]1C[C](C1)(c2cccc(c2)C3=CC(=CNC3=O)C(F)(F)F)c4nncn4C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1CC(C1)(c2cccc(c2)C3=CC(=CNC3=O)C(F)(F)F)c4nncn4C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(C1)(c2cccc(c2)C3=CC(=CNC3=O)C(F)(F)F)c4nncn4C |
