種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CC2Cc1cc4c(cc1C(=NN2C(=O)NC)c3ccc(cc3)N)OCO4 |
InChI | InChI | 1.03 | InChI=1S/C19H20N4O3/c1-11-7-13-8-16-17(26-10-25-16)9-15(13)18(22-23(11)19(24)21-2)12-3-5-14(20)6-4-12/h3-6,8-9,11H,7,10,20H2,1-2H3,(H,21,24)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | SMGACXZFVXKEAX-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)N1N=C(c2ccc(N)cc2)c3cc4OCOc4cc3C[C@H]1C |
SMILES | CACTVS | 3.385 | CNC(=O)N1N=C(c2ccc(N)cc2)c3cc4OCOc4cc3C[CH]1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(cc4)N)OCO3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(cc4)N)OCO3 |