Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN(C)C(=O)CCOc1ccccc1Oc1cccc2cc(C#N)ccc21 |
InChI | InChI | 1.06 | InChI=1S/C22H20N2O3/c1-24(2)22(25)12-13-26-20-7-3-4-8-21(20)27-19-9-5-6-17-14-16(15-23)10-11-18(17)19/h3-11,14H,12-13H2,1-2H3 |
InChIKey | InChI | 1.06 | QIORNPOXHBDSPJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)CCOc1ccccc1Oc2cccc3cc(ccc23)C#N |
SMILES | CACTVS | 3.385 | CN(C)C(=O)CCOc1ccccc1Oc2cccc3cc(ccc23)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)CCOc1ccccc1Oc2cccc3c2ccc(c3)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)CCOc1ccccc1Oc2cccc3c2ccc(c3)C#N |