536
Summary
| Name: | 1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide |
| Formula: | C13 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 216.279 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 1-(phenylmethyl)-3,4-dihydro-2H-pyridine-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(N1C=C(CCC1)C(=O)N)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2O/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2,(H2,14,16) |
| InChIKey | InChI | 1.03 | MSZLGNZPMBNYEO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)C1=CN(CCC1)Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | NC(=O)C1=CN(CCC1)Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CN2CCCC(=C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CN2CCCC(=C2)C(=O)N |
