種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(N)c1ccc(cc1)c5nc(c2ncccc2)c(c3ccc4OCOc4c3)n5 |
InChI | InChI | 1.03 | InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26) |
InChIKey | InChI | 1.03 | FHYUGAJXYORMHI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1ccc(cc1)c2[nH]c(c3ccc4OCOc4c3)c(n2)c5ccccn5 |
SMILES | CACTVS | 3.370 | NC(=O)c1ccc(cc1)c2[nH]c(c3ccc4OCOc4c3)c(n2)c5ccccn5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccnc(c1)c2c([nH]c(n2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCO5 |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccnc(c1)c2c([nH]c(n2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCO5 |