種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | COCc1cccc(c1)CC(=O)Nc1ccc(cc1)c1c[NH]nc1 |
InChI | InChI | 1.03 | InChI=1S/C19H19N3O2/c1-24-13-15-4-2-3-14(9-15)10-19(23)22-18-7-5-16(6-8-18)17-11-20-21-12-17/h2-9,11-12H,10,13H2,1H3,(H,20,21)(H,22,23) |
InChIKey | InChI | 1.03 | LTOKSVFUTQZXGU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCc1cccc(CC(=O)Nc2ccc(cc2)c3c[nH]nc3)c1 |
SMILES | CACTVS | 3.385 | COCc1cccc(CC(=O)Nc2ccc(cc2)c3c[nH]nc3)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCc1cccc(c1)CC(=O)Nc2ccc(cc2)c3c[nH]nc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | COCc1cccc(c1)CC(=O)Nc2ccc(cc2)c3c[nH]nc3 |