3-Butyl-6-phenethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazin-5-one

SpectraBase Compound ID	4YMJezcwKFH
InChI	InChI=1S/C29H29N7O/c1-2-3-13-27-31-30-26(19-16-21-9-5-4-6-10-21)29(37)36(27)20-22-14-17-23(18-15-22)24-11-7-8-12-25(24)28-32-34-35-33-28/h4-12,14-15,17-18H,2-3,13,16,19-20H2,1H3,(H,32,33,34,35)
InChIKey	IQCSUVBCALWDBG-UHFFFAOYSA-N Google Search
Mol Weight	491.6 g/mol
Molecular Formula	C29H29N7O
Exact Mass	491.243359 g/mol

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SpectraBase Spectrum ID	5nxLnsAHdUi
Name	3-Butyl-6-phenethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazin-5-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H29N7O
InChI	InChI=1S/C29H29N7O/c1-2-3-13-27-31-30-26(19-16-21-9-5-4-6-10-21)29(37)36(27)20-22-14-17-23(18-15-22)24-11-7-8-12-25(24)28-32-34-35-33-28/h4-12,14-15,17-18H,2-3,13,16,19-20H2,1H3,(H,32,33,34,35)
InChIKey	IQCSUVBCALWDBG-UHFFFAOYSA-N
Molecular Weight	491.599 g/mol
SMILES	[nH]1c(nnn1)-c1c(-c2ccc(CN3C(C(CCc4ccccc4)=NN=C3CCCC)=O)cc2)cccc1
SPLASH	splash10-0a4i-0090200000-5e29e35b35cae813119c
Source of Spectrum	QA-46-58-18
Synonyms	3-Butyl-6-(2-phenylethyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazin-5-one
Wiley ID	863094