1LB
Summary
| Name: | (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide |
| Formula: | C11 H10 N4 O |
| Formal charge: | 0 |
| Formula weight: | 214.223 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CC(C(=O)N)Cc1cc2c(cc1)nnc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H10N4O/c12-5-8(11(13)16)3-7-1-2-10-9(4-7)6-14-15-10/h1-2,4,6,8H,3H2,(H2,13,16)(H,14,15)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | LSZLZUAHIJIGOY-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)[C@@H](Cc1ccc2[nH]ncc2c1)C#N |
| SMILES | CACTVS | 3.370 | NC(=O)[CH](Cc1ccc2[nH]ncc2c1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1C[C@@H](C#N)C(=O)N)cn[nH]2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1CC(C#N)C(=O)N)cn[nH]2 |
