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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-4-triazolecarboxylic acid ethyl ester
SpectraBase Compound ID 5wSspj4KRqT
InChI InChI=1S/C25H28N8O3/c1-2-35-25(34)21-20(33(30-27-21)24-23(26)28-36-29-24)17-31-13-15-32(16-14-31)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,22H,2,13-17H2,1H3,(H2,26,28)
InChIKey BIZJGTQEXNLVDW-UHFFFAOYSA-N
Mol Weight 488.55 g/mol
Molecular Formula C25H28N8O3
Exact Mass 488.228437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ei8OUGTfVh
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-4-triazolecarboxylic acid ethyl ester
Alternate Name(s) 1-(4-aminofurazan-3-yl)-5-[(4-benzhydrylpiperazino)methyl]triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzhydrylpiperazin-1-yl)methyl]triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-1,2,3-triazole-4-carboxylate
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Formula C25H28N8O3
InChI InChI=1S/C25H28N8O3/c1-2-35-25(34)21-20(33(30-27-21)24-23(26)28-36-29-24)17-31-13-15-32(16-14-31)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,22H,2,13-17H2,1H3,(H2,26,28)
InChIKey BIZJGTQEXNLVDW-UHFFFAOYSA-N
Molecular Weight 488.552 g/mol
SMILES Nc1c(-[n]2c(c(C(=O)OCC)nn2)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)non1
SPLASH splash10-014i-1930000000-38d63a882978babec0c4
Wiley ID 1447984