種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(NC1(CCOCC1)Cc1ccccc1)Nc1cccnc1 |
InChI | InChI | 1.06 | InChI=1S/C18H21N3O2/c22-17(20-16-7-4-10-19-14-16)21-18(8-11-23-12-9-18)13-15-5-2-1-3-6-15/h1-7,10,14H,8-9,11-13H2,(H2,20,21,22) |
InChIKey | InChI | 1.06 | QJWPFRCAJGJSOH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1cccnc1)NC2(CCOCC2)Cc3ccccc3 |
SMILES | CACTVS | 3.385 | O=C(Nc1cccnc1)NC2(CCOCC2)Cc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2(CCOCC2)NC(=O)Nc3cccnc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2(CCOCC2)NC(=O)Nc3cccnc3 |