OGV
Summary
| Name: | 2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide |
| Formula: | C14 H11 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 286.716 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-chlorophenyl)-~{N}-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cccc(c1)CC(=O)Nc1nnc2ccccn21 |
| InChI | InChI | 1.06 | InChI=1S/C14H11ClN4O/c15-11-5-3-4-10(8-11)9-13(20)16-14-18-17-12-6-1-2-7-19(12)14/h1-8H,9H2,(H,16,18,20) |
| InChIKey | InChI | 1.06 | PICHRHZICCXQLR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2nnc3ccccn23)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2nnc3ccccn23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccn2c(c1)nnc2NC(=O)Cc3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccn2c(c1)nnc2NC(=O)Cc3cccc(c3)Cl |
