種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(N)c1ccc(cc1)c4cc(c2cccc3OCOc23)cnc4N |
SMILES_CANONICAL | CACTVS | 3.352 | NC(=O)c1ccc(cc1)c2cc(cnc2N)c3cccc4OCOc34 |
SMILES | CACTVS | 3.352 | NC(=O)c1ccc(cc1)c2cc(cnc2N)c3cccc4OCOc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(c2c(c1)OCO2)c3cc(c(nc3)N)c4ccc(cc4)C(=O)N |
SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(c2c(c1)OCO2)c3cc(c(nc3)N)c4ccc(cc4)C(=O)N |
InChI | InChI | 1.03 | InChI=1S/C19H15N3O3/c20-18-15(11-4-6-12(7-5-11)19(21)23)8-13(9-22-18)14-2-1-3-16-17(14)25-10-24-16/h1-9H,10H2,(H2,20,22)(H2,21,23) |
InChIKey | InChI | 1.03 | UBOGEBHIZSQBBD-UHFFFAOYSA-N |