WVU
Summary
| Name: | (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate |
| Formula: | C12 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 234.251 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15) |
| InChIKey | InChI | 1.06 | BAHFPJFBMJTOPU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CN(CCN1)C(=O)OCc2ccccc2 |
| SMILES | CACTVS | 3.385 | O=C1CN(CCN1)C(=O)OCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COC(=O)N2CCNC(=O)C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COC(=O)N2CCNC(=O)C2 |
