Analyte Name

[N(E)]-N-[5-[(E)-(3-Fluorodibenz[b,e]oxepin-11(6H)-ylidene)methyl]-1,3-dihydro-1-[(1R)-1-methyl-2-(4-morpholinyl)ethyl]-2H-benzimidazol-2-ylidene]urea

CAS Number

1162264-07-4

Molecular Formula

C30H30FN5O3

Molecular Weight

527.6

Accurate Mass

527.23

SMILES

C(=C\1/C=2C(OCC=3C1=CC=CC3)=CC(F)=CC2)\C=4C=C5C(=CC4)N([C@@H](CN6CCOCC6)C)C(NC(N)=O)=N5

InChI

InChI=1S/C30H30FN5O3/c1-19(17-35-10-12-38-13-11-35)36-27-9-6-20(15-26(27)33-30(36)34-29(32)37)14-25-23-5-3-2-4-21(23)18-39-28-16-22(31)7-8-24(25)28/h2-9,14-16,19H,10-13,17-18H2,1H3,(H3,32,33,34,37)/b25-14+/t19-/m1/s1

IUPAC

(R,E)-1-(5-((3-Fluorodibenzo[b,e]oxepin-11(6H)-ylidene)methyl)-1-(1-morpholinopropan-2-yl)-1H-benzo[d]imidazol-2-yl)urea

Country of Origin

CANADA

Product Format

Neat