Y7C
Summary
| Name: | 3-chloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide |
| Formula: | C11 H12 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 265.699 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-chloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide |
| OpenEye OEToolkits | 2.0.7 | 3-chloranyl-~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCn1nnnc1NC(=O)c1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C11H12ClN5O/c1-2-6-17-11(14-15-16-17)13-10(18)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,14,16,18) |
| InChIKey | InChI | 1.06 | IBRCUOMIAFDQTM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCn1nnnc1NC(=O)c2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | CCCn1nnnc1NC(=O)c2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCn1c(nnn1)NC(=O)c2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCn1c(nnn1)NC(=O)c2cccc(c2)Cl |
