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

*Links on SpectraBase are not permalinks.

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzyl-1-piperidinyl)methyl]-N'-[(E)-(4-methylphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

View entire compound with spectra: 2 NMR

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzyl-1-piperidinyl)methyl]-N'-[(E)-(4-methylphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 3QmMAAoMo6V
InChI InChI=1S/C26H29N9O2/c1-18-7-9-21(10-8-18)16-28-30-26(36)23-22(35(33-29-23)25-24(27)31-37-32-25)17-34-13-11-20(12-14-34)15-19-5-3-2-4-6-19/h2-10,16,20H,11-15,17H2,1H3,(H2,27,31)(H,30,36)/b28-16+
InChIKey CWGBMQNIAZNGDV-LQKURTRISA-N
Mol Weight 499.58 g/mol
Molecular Formula C26H29N9O2
Exact Mass 499.244421 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 CcAU4KrYOaN
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzyl-1-piperidinyl)methyl]-N'-[(E)-(4-methylphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 499.244421208 u
Formula C26H29N9O2
InChI InChI=1S/C26H29N9O2/c1-18-7-9-21(10-8-18)16-28-30-26(36)23-22(35(33-29-23)25-24(27)31-37-32-25)17-34-13-11-20(12-14-34)15-19-5-3-2-4-6-19/h2-10,16,20H,11-15,17H2,1H3,(H2,27,31)(H,30,36)/b28-16+
InChIKey CWGBMQNIAZNGDV-LQKURTRISA-N
Molecular Weight 499.579 g/mol
SMILES NC=1C(N2C(=C(C(N\N=C\C3=CC=C(C=C3)C)=O)N=N2)CN2CCC(CC3=CC=CC=C3)CC2)=NON1