Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3)CC(C)C |
InChI | InChI | 1.03 | InChI=1S/C19H19N3O2/c1-12(2)11-17(23)20-14-9-7-13(8-10-14)18-21-16-6-4-3-5-15(16)19(24)22-18/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22,24) |
InChIKey | InChI | 1.03 | IJWQZPJVSBDCPK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)CC(=O)Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
SMILES | CACTVS | 3.370 | CC(C)CC(=O)Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)CC(=O)Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(=O)Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |