J8R
Summary
| Name: | 4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile |
| Formula: | C18 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 304.346 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H16N4O/c1-22(8-9-23)18-7-4-15(13-21-18)10-17(12-20)16-5-2-14(11-19)3-6-16/h2-7,10,13,23H,8-9H2,1H3/b17-10+ |
| InChIKey | InChI | 1.03 | MMFJPNCXBGQMOQ-LICLKQGHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCO)c1ccc(cn1)\C=C(/C#N)c2ccc(cc2)C#N |
| SMILES | CACTVS | 3.385 | CN(CCO)c1ccc(cn1)C=C(C#N)c2ccc(cc2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCO)c1ccc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCO)c1ccc(cn1)C=C(C#N)c2ccc(cc2)C#N |
