PO7
Summary
| Name: | (6Z)-3-[[2,5-bis(fluoranyl)phenyl]methylidene]-6-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione |
| Formula: | C19 H18 F2 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 372.369 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (6~{Z})-3-[[2,5-bis(fluoranyl)phenyl]methylidene]-6-[(4-~{tert}-butyl-1~{H}-imidazol-5-yl)methylidene]piperazine-2,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H18F2N4O2/c1-19(2,3)16-13(22-9-23-16)8-15-18(27)24-14(17(26)25-15)7-10-6-11(20)4-5-12(10)21/h4-9H,1-3H3,(H,22,23)(H,24,27)(H,25,26)/b14-7?,15-8- |
| InChIKey | InChI | 1.03 | YRMXYQDFDXFFPU-QEJIEUBGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1nc[nH]c1\C=C2/NC(=O)\C(NC2=O)=C\c3cc(F)ccc3F |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1nc[nH]c1C=C2NC(=O)C(NC2=O)=Cc3cc(F)ccc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)NC(=Cc3cc(ccc3F)F)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1c([nH]cn1)C=C2C(=O)NC(=Cc3cc(ccc3F)F)C(=O)N2 |
