Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc4cc(Cl)cc(Cl)c4 |
SMILES | CACTVS | 3.352 | Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc4cc(Cl)cc(Cl)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | Cc1cccc2c1cc(n2Cc3cccc(c3)C(=N)N)C(=O)NCc4cc(cc(c4)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.6.1 | Cc1cccc2c1cc(n2Cc3cccc(c3)C(=N)N)C(=O)NCc4cc(cc(c4)Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C25H22Cl2N4O/c1-15-4-2-7-22-21(15)12-23(25(32)30-13-17-9-19(26)11-20(27)10-17)31(22)14-16-5-3-6-18(8-16)24(28)29/h2-12H,13-14H2,1H3,(H3,28,29)(H,30,32) |
InChIKey | InChI | 1.03 | YAAKSJLUBVPBIM-UHFFFAOYSA-N |