Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#C\C=C\c3cc(Oc2ccc(F)cc2OCCN1C=CC(=O)NC1=O)cc(F)c3 |
InChI | InChI | 1.03 | InChI=1S/C21H15F2N3O4/c22-15-3-4-18(30-17-11-14(2-1-6-24)10-16(23)12-17)19(13-15)29-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+ |
InChIKey | InChI | 1.03 | USRHSVZSPKDGMT-OWOJBTEDSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Fc1ccc(Oc2cc(F)cc(\C=C\C#N)c2)c(OCCN3C=CC(=O)NC3=O)c1 |
SMILES | CACTVS | 3.370 | Fc1ccc(Oc2cc(F)cc(C=CC#N)c2)c(OCCN3C=CC(=O)NC3=O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)/C=C/C#N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)C=CC#N |