A1KFP
Summary
| Name: | 2-(3-cyano-1,2,4-triazol-1-yl)-~{N}-[(3~{S})-1-(2-methylquinolin-6-yl)pyrrolidin-3-yl]ethanamide |
| Synonyms: | LIPID FRAGMENT |
| Formula: | C19 H19 N7 O |
| Formal charge: | 0 |
| Formula weight: | 361.4 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(3-cyano-1,2,4-triazol-1-yl)-~{N}-[(3~{S})-1-(2-methylquinolin-6-yl)pyrrolidin-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H19N7O/c1-13-2-3-14-8-16(4-5-17(14)22-13)25-7-6-15(10-25)23-19(27)11-26-12-21-18(9-20)24-26/h2-5,8,12,15H,6-7,10-11H2,1H3,(H,23,27)/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | BJRGHYFCLGZJCG-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2cc(ccc2n1)N3CC[C@@H](C3)NC(=O)Cn4cnc(n4)C#N |
| SMILES | CACTVS | 3.385 | Cc1ccc2cc(ccc2n1)N3CC[CH](C3)NC(=O)Cn4cnc(n4)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2cc(ccc2n1)N3CC[C@@H](C3)NC(=O)Cn4cnc(n4)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2cc(ccc2n1)N3CCC(C3)NC(=O)Cn4cnc(n4)C#N |
