J8U
Summary
| Name: | 4-[(~{Z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile |
| Formula: | C21 H22 N4 |
| Formal charge: | 0 |
| Formula weight: | 330.426 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(~{Z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H22N4/c1-24(2)12-13-25(3)21-10-6-17(7-11-21)14-20(16-23)19-8-4-18(15-22)5-9-19/h4-11,14H,12-13H2,1-3H3/b20-14+ |
| InChIKey | InChI | 1.03 | BCLYGBLOTWSFBR-XSFVSMFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCN(C)c1ccc(cc1)\C=C(C#N)\c2ccc(cc2)C#N |
| SMILES | CACTVS | 3.385 | CN(C)CCN(C)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCN(C)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCN(C)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N |
