Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N)c1ccc(cc1)n3c2c(C(=O)CC(C2)(C)C)c(c3)C |
InChI | InChI | 1.03 | InChI=1S/C18H20N2O2/c1-11-10-20(13-6-4-12(5-7-13)17(19)22)14-8-18(2,3)9-15(21)16(11)14/h4-7,10H,8-9H2,1-3H3,(H2,19,22) |
InChIKey | InChI | 1.03 | WCNWRBAQSUPKHE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cn(c2CC(C)(C)CC(=O)c12)c3ccc(cc3)C(N)=O |
SMILES | CACTVS | 3.385 | Cc1cn(c2CC(C)(C)CC(=O)c12)c3ccc(cc3)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(cc3)C(=O)N |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(cc3)C(=O)N |