Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(Cl)c(CNc2nc(c1cc(NC(CC)=O)ccc1)nn2)c(ccc3)F |
InChI | InChI | 1.03 | InChI=1S/C18H17ClFN5O/c1-2-16(26)22-12-6-3-5-11(9-12)17-23-18(25-24-17)21-10-13-14(19)7-4-8-15(13)20/h3-9H,2,10H2,1H3,(H,22,26)(H2,21,23,24,25) |
InChIKey | InChI | 1.03 | RBMCVMVCNBYBCI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1cccc(c1)c2n[nH]c(NCc3c(F)cccc3Cl)n2 |
SMILES | CACTVS | 3.385 | CCC(=O)Nc1cccc(c1)c2n[nH]c(NCc3c(F)cccc3Cl)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(=O)Nc1cccc(c1)c2nc([nH]n2)NCc3c(cccc3Cl)F |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC(=O)Nc1cccc(c1)c2nc([nH]n2)NCc3c(cccc3Cl)F |