YDS
Summary
| Name: | N-{5-cyano-2-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]phenyl}-2,2-dimethylpropanamide |
| Formula: | C16 H19 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 329.354 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{5-cyano-2-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]phenyl}-2,2-dimethylpropanamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[5-cyano-2-[(4-methyl-5-oxidanylidene-1~{H}-1,2,4-triazol-3-yl)methoxy]phenyl]-2,2-dimethyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)(C)C(=O)Nc1cc(C#N)ccc1OCC1=NNC(=O)N1C |
| InChI | InChI | 1.06 | InChI=1S/C16H19N5O3/c1-16(2,3)14(22)18-11-7-10(8-17)5-6-12(11)24-9-13-19-20-15(23)21(13)4/h5-7H,9H2,1-4H3,(H,18,22)(H,20,23) |
| InChIKey | InChI | 1.06 | XAIVMWFPGMHHJC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)NN=C1COc2ccc(cc2NC(=O)C(C)(C)C)C#N |
| SMILES | CACTVS | 3.385 | CN1C(=O)NN=C1COc2ccc(cc2NC(=O)C(C)(C)C)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(=O)Nc1cc(ccc1OCC2=NNC(=O)N2C)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(=O)Nc1cc(ccc1OCC2=NNC(=O)N2C)C#N |
