V6K
Summary
| Name: | (~{E})-2-cyano-3-(4-hydroxyphenyl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide |
| Formula: | C16 H19 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 301.34 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-2-cyano-3-(4-hydroxyphenyl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H19N3O3/c17-12-14(11-13-1-3-15(20)4-2-13)16(21)18-5-6-19-7-9-22-10-8-19/h1-4,11,20H,5-10H2,(H,18,21)/b14-11+ |
| InChIKey | InChI | 1.03 | FJCWZDJYNREWJS-SDNWHVSQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)\C=C(/C#N)C(=O)NCCN2CCOCC2 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1)C=C(C#N)C(=O)NCCN2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=C(\C#N)/C(=O)NCCN2CCOCC2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=C(C#N)C(=O)NCCN2CCOCC2)O |
