Compound Identification
SMILES
CC1=NC=C(CN2CCN(CC2)C(=O)OCC2=C3OC(F)(F)OC3=CC=C2)N1CC1=CC=C(C=C1)C#N
InChIKey
InChIKey=IKACLZBWXJAGOW-UHFFFAOYSA-N
Formula
C26H25F2N5O4
Mass
509.514
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Piperazine carboxylic acids 1,2,5-trisubstituted imidazoles Benzonitriles Imidazolyl carboxylic acids and derivatives N-alkylpiperazines Aralkylamines N-substituted imidazoles Heteroaromatic compounds Carbamate esters Trialkylamines Nitriles Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Piperazine-1-carboxylic acid - 1,2,5-trisubstituted-imidazole - Benzonitrile - Imidazolyl carboxylic acid derivative - Trisubstituted imidazole - Aralkylamine - N-alkylpiperazine - N-substituted imidazole - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Azole - Heteroaromatic compound - Imidazole - Carbamic acid ester - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Carbonitrile - Azacycle - Nitrile - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available