Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | CN1CCN(CC1)c2ccnc3n(C)cc(\C=C4/Oc5cc(O)cc(O)c5C4=O)c23 |
SMILES | CACTVS | 3.352 | CN1CCN(CC1)c2ccnc3n(C)cc(C=C4Oc5cc(O)cc(O)c5C4=O)c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cn1cc(c2c1nccc2N3CCN(CC3)C)/C=C\4/C(=O)c5c(cc(cc5O4)O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | Cn1cc(c2c1nccc2N3CCN(CC3)C)C=C4C(=O)c5c(cc(cc5O4)O)O |
InChI | InChI | 1.03 | InChI=1S/C22H22N4O4/c1-24-5-7-26(8-6-24)15-3-4-23-22-19(15)13(12-25(22)2)9-18-21(29)20-16(28)10-14(27)11-17(20)30-18/h3-4,9-12,27-28H,5-8H2,1-2H3/b18-9- |
InChIKey | InChI | 1.03 | RLZIWQDVHJTWEF-NVMNQCDNSA-N |