Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1c4ccc(OC)c(c4O/C1=C\c3nnc2ccccc23)CN5CCNCC5 |
InChI | InChI | 1.03 | InChI=1S/C22H22N4O3/c1-28-19-7-6-15-21(27)20(12-18-14-4-2-3-5-17(14)24-25-18)29-22(15)16(19)13-26-10-8-23-9-11-26/h2-7,12,23H,8-11,13H2,1H3,(H,24,25)/b20-12- |
InChIKey | InChI | 1.03 | HZMQZYRYZGLOKJ-NDENLUEZSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc2C(=O)C(/Oc2c1CN3CCNCC3)=C/c4n[nH]c5ccccc45 |
SMILES | CACTVS | 3.370 | COc1ccc2C(=O)C(Oc2c1CN3CCNCC3)=Cc4n[nH]c5ccccc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c5ccccc5[nH]n4)/C2=O |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc2c(c1CN3CCNCC3)OC(=Cc4c5ccccc5[nH]n4)C2=O |