Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC1CC1)c4cc(c3ccn2c(nnc2C(C)(C)C)c3)c(cc4)C |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(cc1c2ccn3c(c2)nnc3C(C)(C)C)C(=O)NC4CC4 |
SMILES | CACTVS | 3.370 | Cc1ccc(cc1c2ccn3c(c2)nnc3C(C)(C)C)C(=O)NC4CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1ccc(cc1c2ccn3c(c2)nnc3C(C)(C)C)C(=O)NC4CC4 |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1ccc(cc1c2ccn3c(c2)nnc3C(C)(C)C)C(=O)NC4CC4 |
InChI | InChI | 1.03 | InChI=1S/C21H24N4O/c1-13-5-6-15(19(26)22-16-7-8-16)11-17(13)14-9-10-25-18(12-14)23-24-20(25)21(2,3)4/h5-6,9-12,16H,7-8H2,1-4H3,(H,22,26) |
InChIKey | InChI | 1.03 | QOUXRSOLEJEKEB-UHFFFAOYSA-N |