種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C26H22N4O/c1-2-4-24-22(3-1)21(9-10-28-24)23-17-31-25-15-19(16-29-26(23)25)18-5-7-20(8-6-18)30-13-11-27-12-14-30/h1-10,15-17,27H,11-14H2 |
InChIKey | InChI | 1.06 | FFLJVBPCONQSQW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1CN(CCN1)c2ccc(cc2)c3cnc4c(occ4c5ccnc6ccccc56)c3 |
SMILES | CACTVS | 3.385 | C1CN(CCN1)c2ccc(cc2)c3cnc4c(occ4c5ccnc6ccccc56)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(ccn2)c3coc4c3ncc(c4)c5ccc(cc5)N6CCNCC6 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(ccn2)c3coc4c3ncc(c4)c5ccc(cc5)N6CCNCC6 |