A1IZF
Summary
| Name: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyrazin-2-one |
| Formula: | C19 H18 F3 N5 O |
| Formal charge: | 0 |
| Formula weight: | 389.374 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}-pyrazin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H18F3N5O/c1-11-7-18(8-11,17-26-24-10-27(17)2)13-5-3-4-12(6-13)15-16(28)23-9-14(25-15)19(20,21)22/h3-6,9-11H,7-8H2,1-2H3,(H,23,28)/t11-,18+ |
| InChIKey | InChI | 1.06 | MCAPBVURFBDUCK-MXXVBZNESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1C[C@@](C1)(c2cccc(c2)C3=NC(=CNC3=O)C(F)(F)F)c4nncn4C |
| SMILES | CACTVS | 3.385 | C[CH]1C[C](C1)(c2cccc(c2)C3=NC(=CNC3=O)C(F)(F)F)c4nncn4C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1CC(C1)(c2cccc(c2)C3=NC(=CNC3=O)C(F)(F)F)c4nncn4C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(C1)(c2cccc(c2)C3=NC(=CNC3=O)C(F)(F)F)c4nncn4C |
