Structure Information
Structure

Compound Identification

SMILES

CC1=CC(F)=C(C=C1)C(=O)C1=C\C(C(=O)C=C1)=C1\NC(N)=NC(OCCN2CCN(CCO)CC2)=C1

InChIKey

InChIKey=MJHPMCSQPWSOHD-XDOYNYLZSA-N

Formula

C26H30FN5O4

Mass

495.555

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones - Quinomethanes

Direct Parent

O-quinomethanes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

O-quinomethane - Halotoluene - Benzoyl - Aryl ketone - Halobenzene - Toluene - N-alkylpiperazine - Fluorobenzene - 1,6-dihydropyrimidine - Hydropyrimidine - Piperazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Vinylogous amide - Vinylogous halide - Tertiary aliphatic amine - Guanidine - Ketene acetal or derivatives - Tertiary amine - 1,2-aminoalcohol - Alkanolamine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Amine - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.

External Descriptors

Not available

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