Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C)Cn1nnc(c2ccccc2)c1COC(=O)NCc1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C20H20N4O3/c1-15(25)13-24-18(19(22-23-24)17-10-6-3-7-11-17)14-27-20(26)21-12-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,21,26) |
InChIKey | InChI | 1.03 | WXRQXWFHRZFFIN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Cn1nnc(c1COC(=O)NCc2ccccc2)c3ccccc3 |
SMILES | CACTVS | 3.385 | CC(=O)Cn1nnc(c1COC(=O)NCc2ccccc2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Cn1c(c(nn1)c2ccccc2)COC(=O)NCc3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Cn1c(c(nn1)c2ccccc2)COC(=O)NCc3ccccc3 |