Structure Information
Structure

Compound Identification

SMILES

OCCC1=CC=C(OC2=CN=C(NC(=O)N[C@@H]3[C@H]4COC5=C(F)C=CC(F)=C5[C@H]34)C=C2)C=C1

InChIKey

InChIKey=WRPPTQFLZZPOAY-SAWYMBPVSA-N

Formula

C24H21F2N3O4

Mass

453.446

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxepine - Diaryl ether - Chromane - Benzopyran - Tyrosol derivative - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Imidolactam - Benzenoid - Pyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Urea - Oxacycle - Azacycle - Ether - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).

External Descriptors

Not available

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