ZLW
Summary
| Name: | N-(2-aminoethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide |
| Formula: | C12 H18 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 266.296 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-aminoethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-azanylethyl)-4-(furan-2-ylcarbonyl)piperazine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CCN(CC1)C(=O)NCCN)c1ccco1 |
| InChI | InChI | 1.06 | InChI=1S/C12H18N4O3/c13-3-4-14-12(18)16-7-5-15(6-8-16)11(17)10-2-1-9-19-10/h1-2,9H,3-8,13H2,(H,14,18) |
| InChIKey | InChI | 1.06 | NGTIGXKIESWBCE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCNC(=O)N1CCN(CC1)C(=O)c2occc2 |
| SMILES | CACTVS | 3.385 | NCCNC(=O)N1CCN(CC1)C(=O)c2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCCN |
