SpectraBase Spectrum ID |
FLuYpKou730 |
Name |
2-Pyrrolidinone, 4-[1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzimidazol-2-yl]-1-(3-methylphenyl)- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
425.210327119 u |
Formula |
C27H27N3O2 |
InChI |
InChI=1S/C27H27N3O2/c1-19-8-7-10-22(16-19)30-18-21(17-26(30)31)27-28-23-11-4-5-12-24(23)29(27)14-15-32-25-13-6-3-9-20(25)2/h3-13,16,21H,14-15,17-18H2,1-2H3 |
InChIKey |
SMFTUNQQJHZKBX-UHFFFAOYSA-N |
Molecular Weight |
425.532 g/mol |
SMILES |
C1=CC=C2N(CCOC3=CC=CC=C3C)C(C3CN(C4=CC=CC(=C4)C)C(=O)C3)=NC2=C1 |