種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Cc1ccc(cc1)NC(=O)N(Cc1ccc(OC)cc1)CC1=Nc2ccccc2C(=O)N1 |
InChI | InChI | 1.03 | InChI=1S/C25H24N4O3/c1-17-7-11-19(12-8-17)26-25(31)29(15-18-9-13-20(32-2)14-10-18)16-23-27-22-6-4-3-5-21(22)24(30)28-23/h3-14H,15-16H2,1-2H3,(H,26,31)(H,27,28,30) |
InChIKey | InChI | 1.03 | BNCCSHGSAZQLAQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CN(CC2=Nc3ccccc3C(=O)N2)C(=O)Nc4ccc(C)cc4)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(CN(CC2=Nc3ccccc3C(=O)N2)C(=O)Nc4ccc(C)cc4)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)NC(=O)N(Cc2ccc(cc2)OC)CC3=Nc4ccccc4C(=O)N3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)NC(=O)N(Cc2ccc(cc2)OC)CC3=Nc4ccccc4C(=O)N3 |