| PDB CCD ID: | J8R |
| Number of entries in FURNA: | 1 |
| Chemical formula: | C18 H16 N4 O |
| InChI: | 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: | MMFJPNCXBGQMOQ-LICLKQGHSA-N |
| SMILES: | CN(CCO)c1ccc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N; CN(CCO)c1ccc(cn1)C=C(C#N)c2ccc(cc2)C#N; CN(CCO)c1ccc(cn1)\C=C(/C#N)c2ccc(cc2)C#N |
| Name: | 4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile |
Reference: