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2-Benzyl-9-nitro-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
SpectraBase Compound ID K4peOiPway8
InChI InChI=1S/C17H14N4O3/c22-17-13-9-12(21(23)24)10-14-16(13)20(7-6-18-17)15(19-14)8-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H,18,22)
InChIKey QLHAWGYHYWKWSN-UHFFFAOYSA-N
Mol Weight 322.32 g/mol
Molecular Formula C17H14N4O3
Exact Mass 322.10659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GIyiwW2kSV0
Name 2-Benzyl-9-nitro-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
CAS Registry Number 66596-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N4O3
InChI InChI=1S/C17H14N4O3/c22-17-13-9-12(21(23)24)10-14-16(13)20(7-6-18-17)15(19-14)8-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H,18,22)
InChIKey QLHAWGYHYWKWSN-UHFFFAOYSA-N
Molecular Weight 322.324 g/mol
SMILES N1C(c2cc(cc3nc([n](CC1)c23)Cc1ccccc1)N(=O)=O)=O
SPLASH splash10-0597-9421000000-7bfdeac4502a7e838930
Source of Spectrum O-13-150-2
Synonyms 2-Phenylmethyl-9-nitro-7-oxo-4,5,6,7-tetrahydroimidazo(4,5,1-jk)benzodiazepine-1,4
Wiley ID 1321550