Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c2c4c(n(C)c2ccc1)C3C(CNC(C3)C4)O |
InChI | InChI | 1.03 | InChI=1S/C15H18N2O/c1-17-13-5-3-2-4-10(13)11-6-9-7-12(15(11)17)14(18)8-16-9/h2-5,9,12,14,16,18H,6-8H2,1H3/t9-,12+,14-/m1/s1 |
InChIKey | InChI | 1.03 | QCWXHFWRNWEAIH-LJWDBELGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1c2ccccc2c3C[C@@H]4C[C@@H]([C@H](O)CN4)c13 |
SMILES | CACTVS | 3.385 | Cn1c2ccccc2c3C[CH]4C[CH]([CH](O)CN4)c13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1c2ccccc2c3c1[C@H]4C[C@@H](C3)NC[C@H]4O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cn1c2ccccc2c3c1C4CC(C3)NCC4O |