Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc4ccccc4C2=NCc1cnc(n1c3c2cc(Cl)cc3)C |
InChI | InChI | 1.03 | InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3 |
InChIKey | InChI | 1.03 | DDLIGBOFAVUZHB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12 |
SMILES | CACTVS | 3.370 | Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl |