Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H26N4O3/c1-14-5-4-6-19-20(14)17(7-10-29-19)24-18-11-16(22(28)25(3)8-9-27)13-26-12-15(2)23-21(18)26/h4-6,11-13,17,24,27H,7-10H2,1-3H3/t17-/m1/s1 |
InChIKey | InChI | 1.03 | YBHKBMJREUZHOV-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(CCO)C(=O)c1cn2cc(C)nc2c(N[C@@H]3CCOc4cccc(C)c34)c1 |
SMILES | CACTVS | 3.385 | CN(CCO)C(=O)c1cn2cc(C)nc2c(N[CH]3CCOc4cccc(C)c34)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1[C@@H](CCO2)Nc3cc(cn4c3nc(c4)C)C(=O)N(C)CCO |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1C(CCO2)Nc3cc(cn4c3nc(c4)C)C(=O)N(C)CCO |