(E)-1-[4-[2-(azepan-1-yl)-2-oxo-ethyl]-2,3,5,6-tetrahydropyrazin-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one; (Z)-4-hydroxy-4-oxo-but-2-enoate

Molecular Formula: C29H41N3O9


InChI: InChI=1/C25H37N3O5.C4H4O4/c1-31-21-12-11-20(24(32-2)25(21)33-3)9-8-10-22(29)28-17-15-26(16-18-28)19-23(30)27-13-6-4-5-7-14-27;5-3(6)1-2-4(7)8/h8-9,11-12H,4-7,10,13-19H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b9-8+;2-1-/fC25H38N3O5.C4H3O4/h26H;5H/q+1;-1

InChIKey: InChIKey=OMGXSLZPHXSSLM-RJDDUECGDT
SMILES: COC1=C(C(=C(C=C1)C=CCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3)OC)OC.C(=CC(=O)[O-])C(=O)O

Names:
    Ketone, 4-(hexahydro-1H-azepin-1-yl)carbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate
    KETONE, 4-(HEXAHYDRO-1H-AZEPIN-1-YL)CARBONYLMETHYLPIPERAZINYL 3,4,5-TRIMETHOXYCI
    (E)-1-[4-[2-(azepan-1-yl)-2-oxo-ethyl]-2,3,5,6-tetrahydropyrazin-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one; (Z)-4-hydroxy-4-oxo-but-2-enoate
    75348-45-7

Registries:
    PubChem CID 6435329
    PubChem ID 191116