CAS 815650-84-1: (Hexahydro-1H-1,4-diazepin-1-yl)(3-nitrophenyl)methanone

Description: The chemical substance known as (Hexahydro-1H-1,4-diazepin-1-yl)(3-nitrophenyl)methanone, with the CAS number 815650-84-1, is a synthetic organic compound characterized by its unique structural features. It contains a hexahydro-1H-1,4-diazepine ring, which contributes to its cyclic amine properties, and a 3-nitrophenyl group, indicating the presence of a nitro substituent on the aromatic ring. This compound is likely to exhibit a range of biological activities due to its structural complexity, making it of interest in medicinal chemistry and drug development. The presence of both the diazepine and nitrophenyl moieties suggests potential interactions with biological targets, possibly influencing its pharmacological profile. Additionally, the compound's solubility, stability, and reactivity can be influenced by the functional groups present, which may affect its applications in various chemical and pharmaceutical contexts. Overall, this compound represents a class of nitrogen-containing heterocycles that are often explored for their therapeutic potential.

Formula: C₁₂H₁₅N₃O₃

InChI: InChI=1S/C12H15N3O3/c16-12(14-7-2-5-13-6-8-14)10-3-1-4-11(9-10)15(17)18/h1,3-4,9,13H,2,5-8H2

InChI key: InChIKey=IEYKWMKTCHCVEQ-UHFFFAOYSA-N

SMILES: O=C(C1=CC=CC(=C1)N(=O)=O)N2CCNCCC2

Synonyms:

• Methanone, (hexahydro-1H-1,4-diazepin-1-yl)(3-nitrophenyl)-
• (Hexahydro-1H-1,4-diazepin-1-yl)(3-nitrophenyl)methanone
• 1H-1,4-Diazepine, hexahydro-1-(3-nitrobenzoyl)-

1-(3-nitrobenzoyl)-1,4-diazepane

CAS: 815650-84-1

• Purity: 95.0%
• Molecular weight: 249.27000427246094

1-(3-Nitrobenzoyl)-1,4-diazepane

CAS: 815650-84-1

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• Formula: C₁₂H₁₅N₃O₃
• Purity: Min. 95%
• Molecular weight: 249.27 g/mol