種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C23H25N5O/c1-15(2)28-16(3)22(29)27(4)20-11-10-18(14-21(20)28)25-23-24-13-12-19(26-23)17-8-6-5-7-9-17/h5-16H,1-4H3,(H,24,25,26)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | KWZYVXCTSOTEMY-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4ccccc4)cc12 |
SMILES | CACTVS | 3.385 | CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4ccccc4)cc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4ccccc4)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4ccccc4)C |