V3B
Summary
| Name: | 4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide |
| Formula: | C15 H19 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 289.33 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H19N3O3/c1-16(2)15(21)18-9-7-17(8-10-18)14(20)13-5-3-12(11-19)4-6-13/h3-6,11H,7-10H2,1-2H3 |
| InChIKey | InChI | 1.03 | YLCTXUGWTWGVFY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(C=O)cc2 |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(C=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(cc2)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(cc2)C=O |
