種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c2(cc(C)c1ccc(cc1n2)c3cc(c(cc3)OCc4cnccc4)CN)N |
InChI | InChI | 1.03 | InChI=1S/C23H22N4O/c1-15-9-23(25)27-21-11-18(4-6-20(15)21)17-5-7-22(19(10-17)12-24)28-14-16-3-2-8-26-13-16/h2-11,13H,12,14,24H2,1H3,(H2,25,27) |
InChIKey | InChI | 1.03 | RSZQDXJFSPTWRD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4cccnc4)c(CN)c3 |
SMILES | CACTVS | 3.385 | Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4cccnc4)c(CN)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N |