Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ccccn1)N4Cc3c(c2ccc(F)cc2)nnc3CC4 |
InChI | InChI | 1.03 | InChI=1S/C17H15FN4/c18-13-6-4-12(5-7-13)17-14-11-22(10-8-15(14)20-21-17)16-3-1-2-9-19-16/h1-7,9H,8,10-11H2,(H,20,21) |
InChIKey | InChI | 1.03 | ZJRNBCJAMQCQNC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)c2[nH]nc3CCN(Cc23)c4ccccn4 |
SMILES | CACTVS | 3.385 | Fc1ccc(cc1)c2[nH]nc3CCN(Cc23)c4ccccn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccnc(c1)N2CCc3c(c([nH]n3)c4ccc(cc4)F)C2 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccnc(c1)N2CCc3c(c([nH]n3)c4ccc(cc4)F)C2 |