JS0
Summary
| Name: | [8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanol |
| Synonyms: | 8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinoline-2-carbaldehyde |
| Formula: | C20 H25 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 339.431 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H25N3O2/c1-2-9-22-11-13-23(14-12-22)10-4-15-25-19-6-3-5-17-7-8-18(16-24)21-20(17)19/h1,3,5-8,24H,4,9-16H2 |
| InChIKey | InChI | 1.06 | CFRADSLCUQTFCF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccc2cccc(OCCCN3CCN(CC3)CC#C)c2n1 |
| SMILES | CACTVS | 3.385 | OCc1ccc2cccc(OCCCN3CCN(CC3)CC#C)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#CCN1CCN(CC1)CCCOc2cccc3c2nc(cc3)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#CCN1CCN(CC1)CCCOc2cccc3c2nc(cc3)CO |
