種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(NCCC(c1ccccc1)c2ccccc2)c3cccnc3 |
SMILES_CANONICAL | CACTVS | 3.341 | O=C(NCCC(c1ccccc1)c2ccccc2)c3cccnc3 |
SMILES | CACTVS | 3.341 | O=C(NCCC(c1ccccc1)c2ccccc2)c3cccnc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(CCNC(=O)c2cccnc2)c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(CCNC(=O)c2cccnc2)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24) |
InChIKey | InChI | 1.03 | GDHXZIQAOUBZCC-UHFFFAOYSA-N |