Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(Cc1ccccc1)C(=O)c2cccc(c2)NCc4nc(c3ccncc3)nn4 |
InChI | InChI | 1.03 | InChI=1S/C22H20N6O/c29-22(25-14-16-5-2-1-3-6-16)18-7-4-8-19(13-18)24-15-20-26-21(28-27-20)17-9-11-23-12-10-17/h1-13,24H,14-15H2,(H,25,29)(H,26,27,28) |
InChIKey | InChI | 1.03 | XWJOKKXDMHSILW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1ccccc1)c2cccc(NCc3[nH]c(nn3)c4ccncc4)c2 |
SMILES | CACTVS | 3.385 | O=C(NCc1ccccc1)c2cccc(NCc3[nH]c(nn3)c4ccncc4)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNC(=O)c2cccc(c2)NCc3[nH]c(nn3)c4ccncc4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNC(=O)c2cccc(c2)NCc3[nH]c(nn3)c4ccncc4 |