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4-(2-Bromobenzoyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
SpectraBase Compound ID ABlTR2gpnjB
InChI InChI=1S/C23H18BrFN2O2/c1-14-6-11-20-18(12-14)22(15-7-9-16(25)10-8-15)27(13-21(28)26-20)23(29)17-4-2-3-5-19(17)24/h2-12,22H,13H2,1H3,(H,26,28)
InChIKey XDULHXNIDQDKLD-UHFFFAOYSA-N
Mol Weight 453.31 g/mol
Molecular Formula C23H18BrFN2O2
Exact Mass 452.053569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VJkRsh9vjH
Name 4-(2-Bromobenzoyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18BrFN2O2
InChI InChI=1S/C23H18BrFN2O2/c1-14-6-11-20-18(12-14)22(15-7-9-16(25)10-8-15)27(13-21(28)26-20)23(29)17-4-2-3-5-19(17)24/h2-12,22H,13H2,1H3,(H,26,28)
InChIKey XDULHXNIDQDKLD-UHFFFAOYSA-N
Molecular Weight 453.311 g/mol
SMILES N1c2c(C(N(CC1=O)C(c1c(Br)cccc1)=O)c1ccc(cc1)F)cc(cc2)C
SPLASH splash10-0udi-0390000000-f6fdf336d23424e9ca90
Synonyms 4-(2-bromobenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one 4-(2-bromophenyl)carbonyl-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one 4-[(2-bromophenyl)-oxomethyl]-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Wiley ID 1444893