種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | OC(C)CN4CC2=C(c3c(Nc1ccccc12)cccc3)C4 |
InChI | InChI | 1.03 | InChI=1S/C19H20N2O/c1-13(22)10-21-11-16-14-6-2-4-8-18(14)20-19-9-5-3-7-15(19)17(16)12-21/h2-9,13,20,22H,10-12H2,1H3/t13-/m1/s1 |
InChIKey | InChI | 1.03 | KUHCFTHIRUPZQC-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](O)CN1CC2=C(C1)c3ccccc3Nc4ccccc24 |
SMILES | CACTVS | 3.370 | C[CH](O)CN1CC2=C(C1)c3ccccc3Nc4ccccc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](CN1CC2=C(C1)c3ccccc3Nc4c2cccc4)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(CN1CC2=C(C1)c3ccccc3Nc4c2cccc4)O |