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7-Chloro-2,3-dihydro-3-(4-N,N-dimethylaminobenzylidene)-5-phenyl-1H-1,4-benzodiazepin-2-one
SpectraBase Compound ID I6UJPJwM1VY
InChI InChI=1S/C24H20ClN3O/c1-28(2)19-11-8-16(9-12-19)14-22-24(29)27-21-13-10-18(25)15-20(21)23(26-22)17-6-4-3-5-7-17/h3-15H,1-2H3,(H,27,29)/b22-14+
InChIKey BJDZNJWUUOKVNB-HYARGMPZSA-N
Mol Weight 401.9 g/mol
Molecular Formula C24H20ClN3O
Exact Mass 401.12949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CLztButvEE
Name 7-Chloro-2,3-dihydro-3-(4-N,N-dimethylaminobenzylidene)-5-phenyl-1H-1,4-benzodiazepin-2-one
Alternate Name(s) (3E)-7-Chloro-3-[4-(dimethylamino)benzylidene]-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CAS Registry Number 55056-35-4
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20ClN3O
InChI InChI=1S/C24H20ClN3O/c1-28(2)19-11-8-16(9-12-19)14-22-24(29)27-21-13-10-18(25)15-20(21)23(26-22)17-6-4-3-5-7-17/h3-15H,1-2H3,(H,27,29)/b22-14+
InChIKey BJDZNJWUUOKVNB-HYARGMPZSA-N
Molecular Weight 401.897 g/mol
SMILES N1C(\C(N=C(c2c1ccc(c2)Cl)c1ccccc1)=C/c1ccc(cc1)N(C)C)=O
SPLASH splash10-0udi-0301900000-be74ee4016ee3079a2ff
Source of Spectrum W5-1989-36703-28833
Wiley ID 1370034