RYG
Summary
| Name: | ~{N}-[(3~{R})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide |
| Formula: | C11 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 222.24 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(3~{R})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H14N2O3/c14-10-8(4-1-2-6-12-10)13-11(15)9-5-3-7-16-9/h3,5,7-8H,1-2,4,6H2,(H,12,14)(H,13,15)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | KMCPPIBDTMYPRI-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NCCCC[C@H]1NC(=O)c2occc2 |
| SMILES | CACTVS | 3.385 | O=C1NCCCC[CH]1NC(=O)c2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(oc1)C(=O)N[C@@H]2CCCCNC2=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(oc1)C(=O)NC2CCCCNC2=O |
