Compound Identification
SMILES
FC1=CC=C(CN2C(NC3CCN(CCC4=CC5=C(COOC5)C=C4)CC3)=NC3=CC=CC=C23)C=C1
InChIKey
InChIKey=CDRYBRXZIQWOJU-UHFFFAOYSA-N
Formula
C29H31FN4O2
Mass
486.591
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodioxanes
- Subclass Benzo-2,3-dioxanes
-
Class
Benzodioxanes
-
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 Organofluorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-2,3-dioxane - Benzimidazole - Phenethylamine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl halide - Monocyclic benzene moiety - Aminoimidazole - N-substituted imidazole - Piperidine - Benzenoid - Aryl fluoride - Azole - Imidazole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Dialkyl peroxide - Oxacycle - Secondary amine - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - 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