W7S
Summary
| Name: | N-benzylpyrazine-2-carboxamide |
| Formula: | C12 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 213.235 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-benzylpyrazine-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(phenylmethyl)pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(CNC(c1cnccn1)=O)cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H11N3O/c16-12(11-9-13-6-7-14-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16) |
| InChIKey | InChI | 1.03 | LCEYIUAAVRLLIN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1ccccc1)c2cnccn2 |
| SMILES | CACTVS | 3.385 | O=C(NCc1ccccc1)c2cnccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNC(=O)c2cnccn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNC(=O)c2cnccn2 |
