種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(N\N=C\c2c1ccccc1c(O)cc2)C(c3ccccc3)N |
InChI | InChI | 1.03 | InChI=1S/C19H17N3O2/c20-18(13-6-2-1-3-7-13)19(24)22-21-12-14-10-11-17(23)16-9-5-4-8-15(14)16/h1-12,18,23H,20H2,(H,22,24)/b21-12+/t18-/m1/s1 |
InChIKey | InChI | 1.03 | WWYPXPWOVWOANL-AGKWGAAGSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](C(=O)N\N=C\c1ccc(O)c2ccccc12)c3ccccc3 |
SMILES | CACTVS | 3.370 | N[CH](C(=O)NN=Cc1ccc(O)c2ccccc12)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)[C@H](C(=O)N/N=C/c2ccc(c3c2cccc3)O)N |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C(C(=O)NN=Cc2ccc(c3c2cccc3)O)N |