種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | n3c2N(c1ccccc1)C(=O)C=4N(C(CO)(C)C)C(=O)NC=4c2ccc3 |
InChI | InChI | 1.03 | InChI=1S/C19H18N4O3/c1-19(2,11-24)23-15-14(21-18(23)26)13-9-6-10-20-16(13)22(17(15)25)12-7-4-3-5-8-12/h3-10,24H,11H2,1-2H3,(H,21,26) |
InChIKey | InChI | 1.03 | ZQRNBXXBVMUYDO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(CO)N1C(=O)NC2=C1C(=O)N(c3ccccc3)c4ncccc24 |
SMILES | CACTVS | 3.385 | CC(C)(CO)N1C(=O)NC2=C1C(=O)N(c3ccccc3)c4ncccc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(CO)N1C2=C(c3cccnc3N(C2=O)c4ccccc4)NC1=O |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(CO)N1C2=C(c3cccnc3N(C2=O)c4ccccc4)NC1=O |