Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H18Cl2N4O/c20-16-7-6-14(10-17(16)21)18-15(12-25(24-18)9-8-22)19(26)23-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11,22H2,(H,23,26) |
InChIKey | InChI | 1.03 | SGRJJBWZENVDRI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3 |
SMILES | CACTVS | 3.385 | NCCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCN |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCN |