ZJR
Summary
| Name: | 4-(furan-2-carbonyl)-N-(prop-2-yn-1-yl)piperazine-1-carboxamide |
| Formula: | C13 H15 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 261.276 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(furan-2-carbonyl)-N-(prop-2-yn-1-yl)piperazine-1-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 4-(furan-2-ylcarbonyl)-~{N}-prop-2-ynyl-piperazine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CCN(CC1)C(=O)NCC#C)c1ccco1 |
| InChI | InChI | 1.06 | InChI=1S/C13H15N3O3/c1-2-5-14-13(18)16-8-6-15(7-9-16)12(17)11-4-3-10-19-11/h1,3-4,10H,5-9H2,(H,14,18) |
| InChIKey | InChI | 1.06 | UBZBLIGDRVMKLZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCC#C)N1CCN(CC1)C(=O)c2occc2 |
| SMILES | CACTVS | 3.385 | O=C(NCC#C)N1CCN(CC1)C(=O)c2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#CCNC(=O)N1CCN(CC1)C(=O)c2ccco2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#CCNC(=O)N1CCN(CC1)C(=O)c2ccco2 |
