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5-[(4'-Chlorobenzoyl)ethyl]-2(R)-(4'-chlorobenzoyl)-2a-(4'-chlorophenyl)-1,2,2a,3,4,5-hexahydroazeto[1,2-a]-[1.5]benzodiazepine

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5-[(4'-Chlorobenzoyl)ethyl]-2(R)-(4'-chlorobenzoyl)-2a-(4'-chlorophenyl)-1,2,2a,3,4,5-hexahydroazeto[1,2-a]-[1.5]benzodiazepine
SpectraBase Compound ID ChdBARCZ0wX
InChI InChI=1S/C33H27Cl3N2O2/c34-25-11-5-22(6-12-25)31(39)17-19-37-20-18-33(24-9-15-27(36)16-10-24)28(32(40)23-7-13-26(35)14-8-23)21-38(33)30-4-2-1-3-29(30)37/h1-16,28H,17-21H2/t28-,33?/m0/s1
InChIKey UNSXEPVZUMQRRB-YCIOTGQKSA-N
Mol Weight 590.0 g/mol
Molecular Formula C33H27Cl3N2O2
Exact Mass 588.113811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RoxSJLOge1
Name 5-[(4'-Chlorobenzoyl)ethyl]-2(R)-(4'-chlorobenzoyl)-2a-(4'-chlorophenyl)-1,2,2a,3,4,5-hexahydroazeto[1,2-a]-[1.5]benzodiazepine
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Formula C33H27Cl3N2O2
InChI InChI=1S/C33H27Cl3N2O2/c34-25-11-5-22(6-12-25)31(39)17-19-37-20-18-33(24-9-15-27(36)16-10-24)28(32(40)23-7-13-26(35)14-8-23)21-38(33)30-4-2-1-3-29(30)37/h1-16,28H,17-21H2/t28-,33?/m0/s1
InChIKey UNSXEPVZUMQRRB-YCIOTGQKSA-N
Molecular Weight 589.950 g/mol
SMILES C12(N(c3c(N(CC2)CCC(c2ccc(cc2)Cl)=O)cccc3)C[C@]1(C(c1ccc(cc1)Cl)=O)[H])c1ccc(cc1)Cl
SPLASH splash10-00dr-0310690000-5cc4dbf6d5e526850d35
Source of Spectrum K1-2000-1976-8
Synonyms 3-((2R)-2-(4-chlorobenzoyl)-2a-(4-chlorophenyl)-2,2a,3,4-tetrahydroazeto[1,2-a][1,5]benzodiazepin-5(1H)-yl)-1-(4-chlorophenyl)-1-propanone 5-[(4'-Chlorobenzoyl)ethyl]-2-(4'-chlorobenzoyl)-2a-(4'-chlorophenyl)-1,2,2a,3,4,5-hexahydroazeto[1,2-a]-[1.5]benzodiazepine
Wiley ID 750445