1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(4-phenyl-1-piperazinyl)methyl]-4-triazolecarboxylic acid ethyl ester

SpectraBase Compound ID	CmxflCkhESH
InChI	InChI=1S/C18H22N8O3/c1-2-28-18(27)15-14(26(23-20-15)17-16(19)21-29-22-17)12-24-8-10-25(11-9-24)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,19,21)
InChIKey	YBUGVXQMJFRLRU-UHFFFAOYSA-N Google Search
Mol Weight	398.43 g/mol
Molecular Formula	C18H22N8O3
Exact Mass	398.181487 g/mol

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SpectraBase Spectrum ID	JI4nE5Pdxr0
Name	1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(4-phenyl-1-piperazinyl)methyl]-4-triazolecarboxylic acid ethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	398.181486597 u
Formula	C18H22N8O3
InChI	InChI=1S/C18H22N8O3/c1-2-28-18(27)15-14(26(23-20-15)17-16(19)21-29-22-17)12-24-8-10-25(11-9-24)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,19,21)
InChIKey	YBUGVXQMJFRLRU-UHFFFAOYSA-N
Molecular Weight	398.427 g/mol
SMILES	C=1C=CC(N2CCN(CC=3N(C=4C(=NON4)N)N=NC3C(=O)OCC)CC2)=CC1