J8F
Summary
| Name: | 4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile |
| Formula: | C19 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 303.358 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H17N3O/c1-22(10-11-23)19-8-4-15(5-9-19)12-18(14-21)17-6-2-16(13-20)3-7-17/h2-9,12,23H,10-11H2,1H3/b18-12+ |
| InChIKey | InChI | 1.03 | DIAVZHWDYXQAFC-LDADJPATSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCO)c1ccc(cc1)\C=C(C#N)\c2ccc(cc2)C#N |
| SMILES | CACTVS | 3.385 | CN(CCO)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCO)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N |
