A1BF1
Summary
| Name: | 4-benzylpiperazine-2,6-dione |
| Formula: | C11 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 204.225 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-benzylpiperazine-2,6-dione |
| OpenEye OEToolkits | 3.1.0.0 | 4-(phenylmethyl)piperazine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1CN(Cc2ccccc2)CC(=O)N1 |
| InChI | InChI | 1.06 | InChI=1S/C11H12N2O2/c14-10-7-13(8-11(15)12-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,14,15) |
| InChIKey | InChI | 1.06 | VURIYIYAKMLWMZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CN(CC(=O)N1)Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | O=C1CN(CC(=O)N1)Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)CN2CC(=O)NC(=O)C2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)CN2CC(=O)NC(=O)C2 |
