Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NCCN(CC)CC)c1c(c(nc1C)/C=C3/c2cc(F)ccc2NC3=O)C |
InChI | InChI | 1.03 | InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- |
InChIKey | InChI | 1.03 | WINHZLLDWRZWRT-ATVHPVEESA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C/2C(=O)Nc3ccc(F)cc/23)c1C |
SMILES | CACTVS | 3.370 | CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C |
SMILES | OpenEye OEToolkits | 1.7.2 | CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)F)C |