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4-(4-tert-butylbenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SpectraBase Compound ID KIhw9pvS8Ea
InChI InChI=1S/C27H27FN2O2/c1-17-5-14-23-22(15-17)25(18-8-12-21(28)13-9-18)30(16-24(31)29-23)26(32)19-6-10-20(11-7-19)27(2,3)4/h5-15,25H,16H2,1-4H3,(H,29,31)
InChIKey LXKSAKAMAVRVGT-UHFFFAOYSA-N
Mol Weight 430.52 g/mol
Molecular Formula C27H27FN2O2
Exact Mass 430.205656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvdTJO3XNHL
Name 4-(4-tert-butylbenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Alternate Name(s) 4-(4-tert-butylphenyl)carbonyl-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one 4-[(4-tert-butylphenyl)-oxomethyl]-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
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Formula C27H27FN2O2
InChI InChI=1S/C27H27FN2O2/c1-17-5-14-23-22(15-17)25(18-8-12-21(28)13-9-18)30(16-24(31)29-23)26(32)19-6-10-20(11-7-19)27(2,3)4/h5-15,25H,16H2,1-4H3,(H,29,31)
InChIKey LXKSAKAMAVRVGT-UHFFFAOYSA-N
Molecular Weight 430.523 g/mol
SMILES N1c2c(C(N(CC1=O)C(c1ccc(C(C)(C)C)cc1)=O)c1ccc(cc1)F)cc(cc2)C
SPLASH splash10-0wmi-2980000000-abdc84ff905d3f9b981f
Wiley ID 1444894