種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CC(C)(C)c1ccc(cc1)NC(=O)N1Cc2cccnc2Nc2ccc(C)c(C)c21 |
InChI | InChI | 1.06 | InChI=1S/C25H28N4O/c1-16-8-13-21-22(17(16)2)29(15-18-7-6-14-26-23(18)28-21)24(30)27-20-11-9-19(10-12-20)25(3,4)5/h6-14H,15H2,1-5H3,(H,26,28)(H,27,30) |
InChIKey | InChI | 1.06 | RHGZKBFOWYGLDJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2Nc3ncccc3CN(C(=O)Nc4ccc(cc4)C(C)(C)C)c2c1C |
SMILES | CACTVS | 3.385 | Cc1ccc2Nc3ncccc3CN(C(=O)Nc4ccc(cc4)C(C)(C)C)c2c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1C)N(Cc3cccnc3N2)C(=O)Nc4ccc(cc4)C(C)(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1C)N(Cc3cccnc3N2)C(=O)Nc4ccc(cc4)C(C)(C)C |