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CAS 946387-18-4

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2,3,4,5,10,11-Hexahydro-3-(2-methylpropyl)-11-(3-phenoxyphenyl)-1H-dibenzo[b,e][1,4]diazepin-1-one

Description:
2,3,4,5,10,11-Hexahydro-3-(2-methylpropyl)-11-(3-phenoxyphenyl)-1H-dibenzo[b,e][1,4]diazepin-1-one is a complex organic compound characterized by its unique bicyclic structure, which includes a dibenzo[b,e][1,4]diazepine core. This compound features multiple functional groups, including a ketone and various alkyl and aryl substituents, which contribute to its chemical reactivity and potential biological activity. The presence of the phenoxyphenyl group suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Its hexahydro structure indicates saturation, which may influence its solubility and stability. The compound's molecular weight, along with its specific stereochemistry, plays a crucial role in determining its pharmacokinetic properties. Additionally, the presence of the 2-methylpropyl group may enhance lipophilicity, affecting its distribution in biological systems. Overall, this compound's intricate structure and substituents suggest potential applications in pharmaceuticals, particularly in the development of therapeutic agents.
Formula:C29H30N2O2
InChI:InChI=1S/C29H30N2O2/c1-19(2)15-20-16-26-28(27(32)17-20)29(31-25-14-7-6-13-24(25)30-26)21-9-8-12-23(18-21)33-22-10-4-3-5-11-22/h3-14,18-20,29-31H,15-17H2,1-2H3
InChI key:InChIKey=BEFUWMVQNXRZDW-UHFFFAOYSA-N
SMILES:O=C1C=2C(NC=3C(NC2CC(CC(C)C)C1)=CC=CC3)C4=CC(OC5=CC=CC=C5)=CC=C4
Synonyms:
  • 1H-Dibenzo[b,e][1,4]diazepin-1-one, 2,3,4,5,10,11-hexahydro-3-(2-methylpropyl)-11-(3-phenoxyphenyl)-
  • 2,3,4,5,10,11-Hexahydro-3-(2-methylpropyl)-11-(3-phenoxyphenyl)-1H-dibenzo[b,e][1,4]diazepin-1-one
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