種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(C1=CC=CN(C1=O)Cc2ccccc2)Nc5ncc(Oc3c4cc(OC)c(OC)cc4ncc3)cc5 |
InChI | InChI | 1.03 | InChI=1S/C29H24N4O5/c1-36-25-15-22-23(16-26(25)37-2)30-13-12-24(22)38-20-10-11-27(31-17-20)32-28(34)21-9-6-14-33(29(21)35)18-19-7-4-3-5-8-19/h3-17H,18H2,1-2H3,(H,31,32,34) |
InChIKey | InChI | 1.03 | MIRAJAFOEINWJO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc2nccc(Oc3ccc(NC(=O)C4=CC=CN(Cc5ccccc5)C4=O)nc3)c2cc1OC |
SMILES | CACTVS | 3.370 | COc1cc2nccc(Oc3ccc(NC(=O)C4=CC=CN(Cc5ccccc5)C4=O)nc3)c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)C4=CC=CN(C4=O)Cc5ccccc5 |
SMILES | OpenEye OEToolkits | 1.7.2 | COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)C4=CC=CN(C4=O)Cc5ccccc5 |