J8X
Summary
| Name: | (~{E})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile |
| Formula: | C19 H17 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 319.357 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H17N3O2/c1-22(10-11-23)16-8-6-14(7-9-16)12-15(13-20)19-21-17-4-2-3-5-18(17)24-19/h2-9,12,23H,10-11H2,1H3/b15-12+ |
| InChIKey | InChI | 1.03 | PARAUTMXYRINAC-NTCAYCPXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCO)c1ccc(cc1)\C=C(C#N)\c2oc3ccccc3n2 |
| SMILES | CACTVS | 3.385 | CN(CCO)c1ccc(cc1)C=C(C#N)c2oc3ccccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2nc3ccccc3o2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCO)c1ccc(cc1)C=C(C#N)c2nc3ccccc3o2 |
