Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C4NC=Cc3c1c(nc(n1)C(C)(C)C)c2ccc(F)cc2c34 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)c1[nH]c2c3C=CNC(=O)c3c4cc(F)ccc4c2n1 |
SMILES | CACTVS | 3.341 | CC(C)(C)c1[nH]c2c3C=CNC(=O)c3c4cc(F)ccc4c2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1[nH]c2c3c(c4cc(ccc4c2n1)F)C(=O)NC=C3 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1[nH]c2c3c(c4cc(ccc4c2n1)F)C(=O)NC=C3 |
InChI | InChI | 1.03 | InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22) |
InChIKey | InChI | 1.03 | VNDWQCSOSCCWIP-UHFFFAOYSA-N |