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cis-4-{p-{4-{{2-(2,4-DICHLOROPHENYL)-2-[(1H-1,2,4-TRIAZOL-1-YL]METHYL]-1,3-DIOXOLAN-4-YL}METHOXY}PHENYL}-1-PIPERAZINYL}PHENYL}-DELTA^2-1,2,4-TRIAZOLIN-5-ONE

View entire compound with spectra: 1 FTIR

cis-4-{p-{4-{{2-(2,4-DICHLOROPHENYL)-2-[(1H-1,2,4-TRIAZOL-1-YL]METHYL]-1,3-DIOXOLAN-4-YL}METHOXY}PHENYL}-1-PIPERAZINYL}PHENYL}-DELTA^2-1,2,4-TRIAZOLIN-5-ONE
SpectraBase Compound ID AglUDl3MsjI
InChI InChI=1S/C31H30Cl2N8O4/c32-22-1-10-28(29(33)15-22)31(18-40-20-34-19-36-40)44-17-27(45-31)16-43-26-8-6-24(7-9-26)39-13-11-38(12-14-39)23-2-4-25(5-3-23)41-21-35-37-30(41)42/h1-10,15,19-21,27H,11-14,16-18H2,(H,37,42)/t27-,31-/s2
InChIKey FBAPZOQKYAPBHI-IUIPEQGWSA-N
Mol Weight 649.54 g/mol
Molecular Formula C31H30Cl2N8O4
Exact Mass 648.176707 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID AxMEokNB0BY
Name cis-4-{p-{4-{{2-(2,4-DICHLOROPHENYL)-2-[(1H-1,2,4-TRIAZOL-1-YL]METHYL]-1,3-DIOXOLAN-4-YL}METHOXY}PHENYL}-1-PIPERAZINYL}PHENYL}-DELTA^2-1,2,4-TRIAZOLIN-5-ONE
Source of Sample J. Heeres, Janssen Pharmaceutica, Beerse, Belgium
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H30Cl2N8O4
InChI InChI=1S/C31H30Cl2N8O4/c32-22-1-10-28(29(33)15-22)31(18-40-20-34-19-36-40)44-17-27(45-31)16-43-26-8-6-24(7-9-26)39-13-11-38(12-14-39)23-2-4-25(5-3-23)41-21-35-37-30(41)42/h1-10,15,19-21,27H,11-14,16-18H2,(H,37,42)/t27-,31-/s2
InChIKey FBAPZOQKYAPBHI-IUIPEQGWSA-N
Literature Reference J. MED. CHEM. 27, 894(1984) Abstract-Chemical Abstracts= 101, 23402A(1984)
Molecular Weight 649.533020
Synonyms TRIAZOLIN-5-ONE, D<2-1,2,4-, 4-/P-/4-/P-//2-/2,4-DICHLOROPHENYL/- 2-//1H-1,2,4-TRIAZOL-1-YL/METHYL/- 1,3-DIOXOLAN-4-YL/METHOXY/PHENYL/- 1-PIPERAZINYL/PHENYL/-, CIS-,
Technique KBr WAFER