A1CI9
Summary
| Name: | N-[4-(propan-2-yl)phenyl]pyrazine-2-carboxamide |
| Formula: | C14 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 241.288 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[4-(propan-2-yl)phenyl]pyrazine-2-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(4-propan-2-ylphenyl)pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1ccc(cc1)C(C)C)c1cnccn1 |
| InChI | InChI | 1.06 | InChI=1S/C14H15N3O/c1-10(2)11-3-5-12(6-4-11)17-14(18)13-9-15-7-8-16-13/h3-10H,1-2H3,(H,17,18) |
| InChIKey | InChI | 1.06 | REPKUXPMFWYVDC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc(NC(=O)c2cnccn2)cc1 |
| SMILES | CACTVS | 3.385 | CC(C)c1ccc(NC(=O)c2cnccn2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)c1ccc(cc1)NC(=O)c2cnccn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)c1ccc(cc1)NC(=O)c2cnccn2 |
