Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(C2NC3=CC=CC=C3C3=C(O2)N=C(SCC2=CC=CC=C2F)N=N3)=C1OCC1=CC=CC=C1

InChIKey

InChIKey=MQMAMKNHOBZSGF-UHFFFAOYSA-N

Formula

C31H25FN4O3S

Mass

552.62

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxazepine - Anisole - Phenol ether - Methoxybenzene - Aryl thioether - Phenoxy compound - Meta-oxazepine - Fluorobenzene - Halobenzene - Alkyl aryl ether - Alkylarylthioether - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,2,4-triazine - Benzenoid - Triazine - Heteroaromatic compound - Sulfenyl compound - Thioether - Secondary amine - Oxacycle - Ether - Azacycle - Organosulfur compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).

External Descriptors

Not available

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