種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(NC(c1ccccc1)C)CCC3=Nc2c(cccc2)C(=O)N3 |
InChI | InChI | 1.03 | InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | QIHBWVVVRYYYRO-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccc3 |
SMILES | CACTVS | 3.370 | C[CH](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 |