Y2Z
Summary
| Name: | (1P)-5'-chloro-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]-6-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide |
| Formula: | C19 H16 Cl F3 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 456.803 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1P)-5'-chloro-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]-6-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 3-[5-chloranyl-4-methyl-2-[(4-methyl-5-oxidanylidene-1~{H}-1,2,4-triazol-3-yl)methoxy]phenyl]-4-(trifluoromethyloxy)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(=O)c1cc(c2cc(Cl)c(C)cc2OCC2=NNC(=O)N2C)c(OC(F)(F)F)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C19H16ClF3N4O4/c1-9-5-15(30-8-16-25-26-18(29)27(16)2)12(7-13(9)20)11-6-10(17(24)28)3-4-14(11)31-19(21,22)23/h3-7H,8H2,1-2H3,(H2,24,28)(H,26,29) |
| InChIKey | InChI | 1.06 | ACIBSLCLVXIHRD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)NN=C1COc2cc(C)c(Cl)cc2c3cc(ccc3OC(F)(F)F)C(N)=O |
| SMILES | CACTVS | 3.385 | CN1C(=O)NN=C1COc2cc(C)c(Cl)cc2c3cc(ccc3OC(F)(F)F)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1Cl)c2cc(ccc2OC(F)(F)F)C(=O)N)OCC3=NNC(=O)N3C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1Cl)c2cc(ccc2OC(F)(F)F)C(=O)N)OCC3=NNC(=O)N3C |
