GTJ
Summary
| Name: | ~{N}-(1-propylbenzimidazol-2-yl)propanamide |
| Formula: | C13 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 231.294 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(1-propylbenzimidazol-2-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H17N3O/c1-3-9-16-11-8-6-5-7-10(11)14-13(16)15-12(17)4-2/h5-8H,3-4,9H2,1-2H3,(H,14,15,17) |
| InChIKey | InChI | 1.03 | KFQGOQCGYCFOQG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCn1c(NC(=O)CC)nc2ccccc12 |
| SMILES | CACTVS | 3.385 | CCCn1c(NC(=O)CC)nc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCn1c2ccccc2nc1NC(=O)CC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCn1c2ccccc2nc1NC(=O)CC |
