Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cccc(c1)Oc2ccccc2C=4c3ccnc3C(N(C=4)C)=O |
InChI | InChI | 1.03 | InChI=1S/C20H16N2O2/c1-22-13-17(16-11-12-21-19(16)20(22)23)15-9-5-6-10-18(15)24-14-7-3-2-4-8-14/h2-13,21H,1H3 |
InChIKey | InChI | 1.03 | NUAFIMXCNWRSMX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(c2ccccc2Oc3ccccc3)c4cc[nH]c4C1=O |
SMILES | CACTVS | 3.385 | CN1C=C(c2ccccc2Oc3ccccc3)c4cc[nH]c4C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C=C(c2cc[nH]c2C1=O)c3ccccc3Oc4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CN1C=C(c2cc[nH]c2C1=O)c3ccccc3Oc4ccccc4 |