but-2-enedioic acid; [1-(4-fluorophenyl)-1-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl] acetate
Molecular Formula:
C
26
H
29
FN
2
O
7
InChI:
InChI=1/C22H25FN2O3.C4H4O4/c1-17(26)28-21(22(27)18-7-9-19(23)10-8-18)11-12-24-13-15-25(16-14-24)20-5-3-2-4-6-20;5-3(6)1-2-4(7)8/h2-10,21H,11-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/f/h;5,7H
InChIKey:
InChIKey=DIARMYURHVVENN-YQUVJEFBDG
SMILES:
CC(=O)OC(CCN1CCN(CC1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F.C(=CC(=O)O)C(=O)O
Names:
but-2-enedioic acid; [1-(4-fluorophenyl)-1-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl] acetate
Registries:
PubChem CID 6435537
PubChem ID 11621499