Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodioxoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzodioxoles

Alternative Parents

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

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