Analyte Name

(Z)-but-2-enedioic acid 3-[1-[(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

CAS Number

109826-27-9

Molecular Formula

C26 H28 N4 O2 . C4 H4 O4

Molecular Weight

544.598

Accurate Mass

544.232

SMILES

CC1(CN2CCC(CC2)N3C(=O)Nc4ccccc34)OCc5ccccc5n6cccc16.OC(=O)\C=C/C(=O)O

InChI

InChI=1S/C26H28N4O2.C4H4O4/c1-26(24-11-6-14-29(24)22-9-4-2-7-19(22)17-32-26)18-28-15-12-20(13-16-28)30-23-10-5-3-8-21(23)27-25(30)31;5-3(6)1-2-4(7)8/h2-11,14,20H,12-13,15-18H2,1H3,(H,27,31);1-2H,(H,5,6)(H,7,8)/b;2-1-

IUPAC

(Z)-but-2-enedioic acid;3-[1-[(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat