For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile

View entire compound with spectra: 2 NMR

2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
SpectraBase Compound ID Hi8GFCxRfN8
InChI InChI=1S/C26H22BrN5/c27-19-12-10-17(11-13-19)15-32-16-22(25(31-32)18-6-2-1-3-7-18)24-20-8-4-5-9-23(20)30-26(29)21(24)14-28/h1-3,6-7,10-13,16H,4-5,8-9,15H2,(H2,29,30)
InChIKey AYIQHWSKQGRSNG-UHFFFAOYSA-N
Mol Weight 484.4 g/mol
Molecular Formula C26H22BrN5
Exact Mass 483.105859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID L4VaYijPp5X
Name 2-Amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.105858728 u
Formula C26H22BrN5
InChI InChI=1S/C26H22BrN5/c27-19-12-10-17(11-13-19)15-32-16-22(25(31-32)18-6-2-1-3-7-18)24-20-8-4-5-9-23(20)30-26(29)21(24)14-28/h1-3,6-7,10-13,16H,4-5,8-9,15H2,(H2,29,30)
InChIKey AYIQHWSKQGRSNG-UHFFFAOYSA-N
Molecular Weight 484.401 g/mol
SMILES NC1=C(C(C=2C(=NN(C2)CC2=CC=C(C=C2)Br)C2=CC=CC=C2)=C2C(=N1)CCCC2)C#N