Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc4ccc(c1nncc1c3ccnc(NC2CCCCC2)c3)cc4 |
InChI | InChI | 1.03 | InChI=1S/C20H21FN4/c21-16-8-6-14(7-9-16)20-18(13-23-25-20)15-10-11-22-19(12-15)24-17-4-2-1-3-5-17/h6-13,17H,1-5H2,(H,22,24)(H,23,25) |
InChIKey | InChI | 1.03 | JMLIPRNMUGOAAS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Fc1ccc(cc1)c2n[nH]cc2c3ccnc(NC4CCCCC4)c3 |
SMILES | CACTVS | 3.370 | Fc1ccc(cc1)c2n[nH]cc2c3ccnc(NC4CCCCC4)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)NC4CCCCC4)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)NC4CCCCC4)F |