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3-((5-(2-Hydroxyphenyl)-1H-pyrazol-4-yl)methylene)-4-phenyl-1H-[1,5]benzodiazepin-2(3H)-one
SpectraBase Compound ID HoRvBEbjUvc
InChI InChI=1S/C25H18N4O2/c30-22-13-7-4-10-18(22)24-17(15-26-29-24)14-19-23(16-8-2-1-3-9-16)27-20-11-5-6-12-21(20)28-25(19)31/h1-15,30H,(H,26,29)(H,28,31)
InChIKey XFHNHWDOWGHKBD-UHFFFAOYSA-N
Mol Weight 406.45 g/mol
Molecular Formula C25H18N4O2
Exact Mass 406.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 411pjvEtJ6A
Name 3-((5-(2-Hydroxyphenyl)-1H-pyrazol-4-yl)methylene)-4-phenyl-1H-[1,5]benzodiazepin-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18N4O2
InChI InChI=1S/C25H18N4O2/c30-22-13-7-4-10-18(22)24-17(15-26-29-24)14-19-23(16-8-2-1-3-9-16)27-20-11-5-6-12-21(20)28-25(19)31/h1-15,30H,(H,26,29)(H,28,31)
InChIKey XFHNHWDOWGHKBD-UHFFFAOYSA-N
Instrument Name Varian Mat CH-7
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2015.03.008
Molecular Weight 406.445 g/mol
SMILES Oc1c(-c2c(C=C3C(Nc4c(N=C3c3ccccc3)cccc4)=O)cn[nH]2)cccc1
SPLASH splash10-0a4i-0900000000-3b3b751b5b26d5ba4273
Source of Spectrum AJC-10-554-8
Wiley ID 1857126