Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c23C(C1C(COCC1)O)n4c(c2cccc3)cnc4 |
InChI | InChI | 1.03 | InChI=1S/C15H16N2O2/c18-14-8-19-6-5-12(14)15-11-4-2-1-3-10(11)13-7-16-9-17(13)15/h1-4,7,9,12,14-15,18H,5-6,8H2/t12-,14-,15-/m1/s1 |
InChIKey | InChI | 1.03 | WENBZVXOQQBSHR-BPLDGKMQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1COCC[C@H]1[C@@H]2n3cncc3c4ccccc24 |
SMILES | CACTVS | 3.385 | O[CH]1COCC[CH]1[CH]2n3cncc3c4ccccc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)-c3cncn3[C@H]2[C@@H]4CCOC[C@H]4O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)-c3cncn3C2C4CCOCC4O |