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3-Benzylidene-7-chloro-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one
SpectraBase Compound ID IHoakgIohW1
InChI InChI=1S/C22H15ClN2O/c23-17-11-12-19-18(14-17)21(16-9-5-2-6-10-16)24-20(22(26)25-19)13-15-7-3-1-4-8-15/h1-14H,(H,25,26)/b20-13+
InChIKey AEQAYPPMLMNRJC-DEDYPNTBSA-N
Mol Weight 358.83 g/mol
Molecular Formula C22H15ClN2O
Exact Mass 358.087291 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COGEZCYlekv
Name 3-Benzylidene-7-chloro-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one
Alternate Name(s) (3E)-3-Benzylidene-7-chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CAS Registry Number 55056-30-9
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15ClN2O
InChI InChI=1S/C22H15ClN2O/c23-17-11-12-19-18(14-17)21(16-9-5-2-6-10-16)24-20(22(26)25-19)13-15-7-3-1-4-8-15/h1-14H,(H,25,26)/b20-13+
InChIKey AEQAYPPMLMNRJC-DEDYPNTBSA-N
Molecular Weight 358.828 g/mol
SMILES N1C(\C(N=C(c2c1ccc(c2)Cl)c1ccccc1)=C/c1ccccc1)=O
SPLASH splash10-0a6r-1439000000-78207d9fe00239c7d926
Source of Spectrum W5-1989-36689-28847
Wiley ID 1347243