Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1c4ccc(O)c(c4O/C1=C\c3c2ccccc2nc3)CN5CCCCCC5 |
InChI | InChI | 1.03 | InChI=1S/C24H24N2O3/c27-21-10-9-18-23(28)22(13-16-14-25-20-8-4-3-7-17(16)20)29-24(18)19(21)15-26-11-5-1-2-6-12-26/h3-4,7-10,13-14,25,27H,1-2,5-6,11-12,15H2/b22-13- |
InChIKey | InChI | 1.03 | IARYZBOIUVHJGF-XKZIYDEJSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc2C(=O)C(/Oc2c1CN3CCCCCC3)=C/c4c[nH]c5ccccc45 |
SMILES | CACTVS | 3.370 | Oc1ccc2C(=O)C(Oc2c1CN3CCCCCC3)=Cc4c[nH]c5ccccc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)/C=C\3/C(=O)c4ccc(c(c4O3)CN5CCCCCC5)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)C=C3C(=O)c4ccc(c(c4O3)CN5CCCCCC5)O |