種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C26H30N4O/c1-28-13-15-29(16-14-28)21-5-8-23-19(17-21)18-24(30-12-11-27-25(23)30)26(9-10-26)20-3-6-22(31-2)7-4-20/h3-8,17-18H,9-16H2,1-2H3 |
InChIKey | InChI | 1.06 | PAHRGUYMKQCNRV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C2(CC2)C3=Cc4cc(ccc4C5=NCCN35)N6CCN(C)CC6 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)C2(CC2)C3=Cc4cc(ccc4C5=NCCN35)N6CCN(C)CC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccc3c(c2)C=C(N4C3=NCC4)C5(CC5)c6ccc(cc6)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccc3c(c2)C=C(N4C3=NCC4)C5(CC5)c6ccc(cc6)OC |