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7-Chloro-2,3-dihydro-5-phenyl-3-[(pyrrolyl-2)methylene]-1H-1,4-benzodiazepin-2-one
SpectraBase Compound ID KEDUM4HSXky
InChI InChI=1S/C20H14ClN3O/c21-14-8-9-17-16(11-14)19(13-5-2-1-3-6-13)23-18(20(25)24-17)12-15-7-4-10-22-15/h1-12,22H,(H,24,25)/b18-12+
InChIKey QXGDKXYOULVCKD-LDADJPATSA-N
Mol Weight 347.81 g/mol
Molecular Formula C20H14ClN3O
Exact Mass 347.08254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ll63l5nNavt
Name 7-Chloro-2,3-dihydro-5-phenyl-3-[(pyrrolyl-2)methylene]-1H-1,4-benzodiazepin-2-one
Alternate Name(s) (3E)-7-Chloro-5-phenyl-3-(1H-pyrrol-2-ylmethylene)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CAS Registry Number 55056-40-1
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14ClN3O
InChI InChI=1S/C20H14ClN3O/c21-14-8-9-17-16(11-14)19(13-5-2-1-3-6-13)23-18(20(25)24-17)12-15-7-4-10-22-15/h1-12,22H,(H,24,25)/b18-12+
InChIKey QXGDKXYOULVCKD-LDADJPATSA-N
Molecular Weight 347.805 g/mol
SMILES N1C(\C(=C/c2ccc[nH]2)N=C(c2c1ccc(c2)Cl)c1ccccc1)=O
SPLASH splash10-0002-8219000000-5093a4df56177cc518d0
Source of Spectrum W5-1989-36680-28856
Wiley ID 1340050