Structure Information
Structure

Compound Identification

SMILES

CCN1C(=NC(=C1C1=CC=C(Cl)C=C1)C1=CC=NC=C1)C(O)(CC1=CC=CC=C1)CC1=CC=CC=C1

InChIKey

InChIKey=YBGXEBQKJIZSQO-UHFFFAOYSA-N

Formula

C31H28ClN3O

Mass

494.04

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Linear 1,3-diarylpropanoids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Linear 1,3-diarylpropanoid - 5-phenylimidazole - 4-phenylimidazole - 1,2,4,5-tetrasubstituted imidazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Benzenoid - Heteroaromatic compound - Imidazole - Tertiary alcohol - Azole - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aromatic alcohol - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.

External Descriptors

Not available

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