Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H25N5O3/c1-3-18-6-4-5-7-20(18)30-14-22(29)26(13-21(28)23-2)12-17-8-10-19(11-9-17)27-16-24-15-25-27/h4-11,15-16H,3,12-14H2,1-2H3,(H,23,28) |
InChIKey | InChI | 1.03 | DUJWKHCSHDYNGS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccccc1OCC(=O)N(CC(=O)NC)Cc2ccc(cc2)n3cncn3 |
SMILES | CACTVS | 3.385 | CCc1ccccc1OCC(=O)N(CC(=O)NC)Cc2ccc(cc2)n3cncn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1ccccc1OCC(=O)N(Cc2ccc(cc2)n3cncn3)CC(=O)NC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCc1ccccc1OCC(=O)N(Cc2ccc(cc2)n3cncn3)CC(=O)NC |