OJP
Summary
| Name: | N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide |
| Formula: | C11 H17 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 223.272 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-[4-(hydroxymethyl)-1~{H}-imidazol-2-yl]butyl]prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(nc(CCCCNC(/C=C)=O)n1)CO |
| InChI | InChI | 1.03 | InChI=1S/C11H17N3O2/c1-2-11(16)12-6-4-3-5-10-13-7-9(8-15)14-10/h2,7,15H,1,3-6,8H2,(H,12,16)(H,13,14) |
| InChIKey | InChI | 1.03 | MRXPIIRFCTXJFT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1c[nH]c(CCCCNC(=O)C=C)n1 |
| SMILES | CACTVS | 3.385 | OCc1c[nH]c(CCCCNC(=O)C=C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CC(=O)NCCCCc1[nH]cc(n1)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CC(=O)NCCCCc1[nH]cc(n1)CO |
