Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C18H21N3O3/c1-11-14-5-4-12(17(23)10-22)6-15(14)16(9-20(2)18(11)24)13-7-19-21(3)8-13/h4-9,11,17,22-23H,10H2,1-3H3/t11-,17+/m1/s1 |
InChIKey | InChI | 1.06 | CJVJSGBELMMESS-DIFFPNOSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1C(=O)N(C)C=C(c2cnn(C)c2)c3cc(ccc13)[C@@H](O)CO |
SMILES | CACTVS | 3.385 | C[CH]1C(=O)N(C)C=C(c2cnn(C)c2)c3cc(ccc13)[CH](O)CO |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H]1c2ccc(cc2C(=CN(C1=O)C)c3cnn(c3)C)[C@H](CO)O |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1c2ccc(cc2C(=CN(C1=O)C)c3cnn(c3)C)C(CO)O |