Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2c3ccccc3N=C(c1ccc(cc1)C(C)(C)C)N2 |
InChI | InChI | 1.03 | InChI=1S/C18H18N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11H,1-3H3,(H,19,20,21) |
InChIKey | InChI | 1.03 | QTABKBZRAZXDQK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
SMILES | CACTVS | 3.370 | CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |