種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c13ccccc1CN(C(c2cc(C(C)C)c(CC#N)cc2O)=O)C3 |
InChI | InChI | 1.03 | InChI=1S/C20H20N2O2/c1-13(2)17-10-18(19(23)9-14(17)7-8-21)20(24)22-11-15-5-3-4-6-16(15)12-22/h3-6,9-10,13,23H,7,11-12H2,1-2H3 |
InChIKey | InChI | 1.03 | BZEHHGZKLNMDRW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cc(c(O)cc1CC#N)C(=O)N2Cc3ccccc3C2 |
SMILES | CACTVS | 3.385 | CC(C)c1cc(c(O)cc1CC#N)C(=O)N2Cc3ccccc3C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)c1cc(c(cc1CC#N)O)C(=O)N2Cc3ccccc3C2 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)c1cc(c(cc1CC#N)O)C(=O)N2Cc3ccccc3C2 |