| PDB CCD ID: | YDS |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H19 N5 O3 |
| InChI: | 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: | XAIVMWFPGMHHJC-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(C)(C)C(=O)Nc1cc(ccc1OCC2=NNC(=O)N2C)C#N | | ACDLabs 12.01 | CC(C)(C)C(=O)Nc1cc(C#N)ccc1OCC1=NNC(=O)N1C | | CACTVS 3.385 | CN1C(=O)NN=C1COc2ccc(cc2NC(=O)C(C)(C)C)C#N |
|
| Name: | N-{5-cyano-2-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]phenyl}-2,2-dimethylpropanamide |
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