Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1nc([NH]c1CCN1C(=O)c2ccccc2C1=O)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C20H17N3O2/c1-13-17(22-18(21-13)14-7-3-2-4-8-14)11-12-23-19(24)15-9-5-6-10-16(15)20(23)25/h2-10H,11-12H2,1H3,(H,21,22) |
InChIKey | InChI | 1.03 | BIDCGVLZDMVKQX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc([nH]c1CCN2C(=O)c3ccccc3C2=O)c4ccccc4 |
SMILES | CACTVS | 3.385 | Cc1nc([nH]c1CCN2C(=O)c3ccccc3C2=O)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c([nH]c(n1)c2ccccc2)CCN3C(=O)c4ccccc4C3=O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c([nH]c(n1)c2ccccc2)CCN3C(=O)c4ccccc4C3=O |