Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)(C)n1ncc(c1)c3c2NC(C)CC(=O)Nc2ccc3 |
InChI | InChI | 1.03 | InChI=1S/C17H22N4O/c1-11-8-15(22)20-14-7-5-6-13(16(14)19-11)12-9-18-21(10-12)17(2,3)4/h5-7,9-11,19H,8H2,1-4H3,(H,20,22)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | HPSNXSAYALRMQW-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC(=O)Nc2cccc(c3cnn(c3)C(C)(C)C)c2N1 |
SMILES | CACTVS | 3.385 | C[CH]1CC(=O)Nc2cccc(c3cnn(c3)C(C)(C)C)c2N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cnn(c3)C(C)(C)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CC1CC(=O)Nc2cccc(c2N1)c3cnn(c3)C(C)(C)C |