DIOX2_022067
Molecular Formula:
C45H44N4O6
InChI: InChI=1/C45H44N4O6/c1-52-42-21-34-17-18-49(26-36(34)22-43(42)53-2)27-37-23-41(31-15-13-29(28-50)14-16-31)55-45(54-37)35-10-6-9-33(20-35)32-8-5-7-30(19-32)24-47-44(51)40-25-46-38-11-3-4-12-39(38)48-40/h3-16,19-22,25,37,41,45,50H,17-18,23-24,26-28H2,1-2H3,(H,47,51)/t37-,41+,45+/m1/s1/f/h47H
InChIKey: InChIKey=GZAQISVXJAZCTE-XEPFSWKWDP
SMILES: COC1=C(C=C2CN(CCC2=C1)CC3CC(OC(O3)C4=CC=CC(=C4)C5=CC(=CC=C5)CNC(=O)C6=NC7=CC=CC=C7N=C6)C8=CC=C(C=C8)CO)OC
Names:
DIOX2_022067
N-[[3-[3-[(2S,4R,6S)-4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]quinoxaline-2-carboxamide
Registries:
PubChem CID 6703113
PubChem ID 11329066
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