Compound Identification
SMILES
Cl.FC1=CC=C(CN2C(NC3CCN(CCC4=CC5=C(COOC5)C=C4)CC3)=NC3=CC=CC=C23)C=C1
InChIKey
InChIKey=AWPNHTZJTWTFDJ-UHFFFAOYSA-N
Formula
C29H32ClFN4O2
Mass
523.05
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodioxanes
- Subclass Benzo-2,3-dioxanes
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Class
Benzodioxanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxanes
Subclass
Benzo-2,3-dioxanes
Intermediate Tree Nodes
Not available
Direct Parent
Benzo-2,3-dioxanes
Alternative Parents
Phenethylamines Benzimidazoles Secondary alkylarylamines Aralkylamines Fluorobenzenes Piperidines Aminoimidazoles Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Trialkylamines Dialkyl peroxides Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organofluorides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-2,3-dioxane - Benzimidazole - Phenethylamine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl fluoride - Benzenoid - Piperidine - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Aminoimidazole - Heteroaromatic compound - Azole - Imidazole - Tertiary aliphatic amine - Tertiary amine - Dialkyl peroxide - Secondary amine - Oxacycle - Azacycle - Hydrochloride - Amine - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzo-2,3-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 2,3-dioxane ring.
External Descriptors
Not available