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7-Chloro-2,3-dihydro-3-(4-isopropylenzylidene)-5-phenyl-1H-1,4-benzodiazepin-2-one
SpectraBase Compound ID LxqC9rSb7jF
InChI InChI=1S/C25H21ClN2O/c1-16(2)18-10-8-17(9-11-18)14-23-25(29)28-22-13-12-20(26)15-21(22)24(27-23)19-6-4-3-5-7-19/h3-16H,1-2H3,(H,28,29)/b23-14+
InChIKey YNOPAVWFFBVGFJ-OEAKJJBVSA-N
Mol Weight 400.91 g/mol
Molecular Formula C25H21ClN2O
Exact Mass 400.134241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnUINTkbfBV
Name 7-Chloro-2,3-dihydro-3-(4-isopropylenzylidene)-5-phenyl-1H-1,4-benzodiazepin-2-one
CAS Registry Number 550056-36-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21ClN2O
InChI InChI=1S/C25H21ClN2O/c1-16(2)18-10-8-17(9-11-18)14-23-25(29)28-22-13-12-20(26)15-21(22)24(27-23)19-6-4-3-5-7-19/h3-16H,1-2H3,(H,28,29)/b23-14+
InChIKey YNOPAVWFFBVGFJ-OEAKJJBVSA-N
Molecular Weight 400.909 g/mol
SMILES N1c2c(C(=N\C(C1=O)=C/c1ccc(cc1)C(C)C)c1ccccc1)cc(cc2)Cl
SPLASH splash10-0zfr-0429700000-a121809599782db51b9e
Source of Spectrum W5-1989-36702-28834
Wiley ID 1369572