SpectraBase Spectrum ID |
Cbyr9gOnL9i |
Name |
N-{[1-(3-Methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)cyclohexyl]methyl}benzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
375.231062565 u |
Formula |
C24H29N3O |
InChI |
InChI=1S/C24H29N3O/c1-19-17-22(20-11-5-2-6-12-20)27(26-19)24(15-9-4-10-16-24)18-25-23(28)21-13-7-3-8-14-21/h2-3,5-8,11-14,22H,4,9-10,15-18H2,1H3,(H,25,28) |
InChIKey |
ZPEYJZCTFQHDPP-UHFFFAOYSA-N |
Molecular Weight |
375.516 g/mol |
SMILES |
C=1C=CC(C2N(N=C(C)C2)C2(CNC(=O)C3=CC=CC=C3)CCCCC2)=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833353 |