XEN
Summary
| Name: | 1-butyl-1,4,5,6-tetrahydropyridine-3-carboxamide |
| Formula: | C10 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 182.263 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-butyl-1,4,5,6-tetrahydropyridine-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCCN1C=C(CCC1)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H18N2O/c1-2-3-6-12-7-4-5-9(8-12)10(11)13/h8H,2-7H2,1H3,(H2,11,13) |
| InChIKey | InChI | 1.03 | QWLZGRCLLUCDGU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCN1CCCC(=C1)C(N)=O |
| SMILES | CACTVS | 3.385 | CCCCN1CCCC(=C1)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCN1CCCC(=C1)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCN1CCCC(=C1)C(=O)N |
