Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cccc(c1)C5CCCN5c4nn3c(ncc3c2ncccc2)cc4)F |
InChI | InChI | 1.03 | InChI=1S/C21H18FN5/c22-16-6-3-5-15(13-16)18-8-4-12-26(18)21-10-9-20-24-14-19(27(20)25-21)17-7-1-2-11-23-17/h1-3,5-7,9-11,13-14,18H,4,8,12H2/t18-/m1/s1 |
InChIKey | InChI | 1.03 | RKERQEKFTWWCEY-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(c1)[C@H]2CCCN2c3ccc4ncc(n4n3)c5ccccn5 |
SMILES | CACTVS | 3.385 | Fc1cccc(c1)[CH]2CCCN2c3ccc4ncc(n4n3)c5ccccn5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccnc(c1)c2cnc3n2nc(cc3)N4CCC[C@@H]4c5cccc(c5)F |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F |