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5-(4-fluorophenyl)-4-(2-ketochromene-3-carbonyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SpectraBase Compound ID 6qMCx4xj2NG
InChI InChI=1S/C26H19FN2O4/c1-15-6-11-21-19(12-15)24(16-7-9-18(27)10-8-16)29(14-23(30)28-21)25(31)20-13-17-4-2-3-5-22(17)33-26(20)32/h2-13,24H,14H2,1H3,(H,28,30)
InChIKey FNNMJEABMDGNCB-UHFFFAOYSA-N
Mol Weight 442.45 g/mol
Molecular Formula C26H19FN2O4
Exact Mass 442.132885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUMf1s4Bl6t
Name 5-(4-fluorophenyl)-4-(2-ketochromene-3-carbonyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Alternate Name(s) 5-(4-fluorophenyl)-7-methyl-4-(2-oxidanylidenechromen-3-yl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one 5-(4-fluorophenyl)-7-methyl-4-(2-oxochromene-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one 5-(4-fluorophenyl)-7-methyl-4-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
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Formula C26H19FN2O4
InChI InChI=1S/C26H19FN2O4/c1-15-6-11-21-19(12-15)24(16-7-9-18(27)10-8-16)29(14-23(30)28-21)25(31)20-13-17-4-2-3-5-22(17)33-26(20)32/h2-13,24H,14H2,1H3,(H,28,30)
InChIKey FNNMJEABMDGNCB-UHFFFAOYSA-N
Molecular Weight 442.446 g/mol
SMILES N1c2c(C(N(CC1=O)C(C=1C(Oc3c(C1)cccc3)=O)=O)c1ccc(cc1)F)cc(cc2)C
SPLASH splash10-01b9-2890000000-362fedc5442f54bfc187
Wiley ID 1444898