Structure Information
Structure

Compound Identification

SMILES

CC(C)CNCc1cc2cc-3c(OCCc4c(O)c(C(O)=O)c(=O)[nH]c-34)cc2n1C

InChIKey

InChIKey=LNKNFZPPWQAVNS-UHFFFAOYSA-N

Formula

C22H25N3O5

Mass

411.458

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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 - N-alkylindole - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Indole or derivatives - Polyhalopyridine - 1-carboxy-2-haloaromatic compound - Methylpyridine - Hydroxypyridine - Pyridinone - Hydroxy fatty acid - Heterocyclic fatty acid - Branched fatty acid - Alkyl aryl ether - Fatty acyl - Fatty acid - Benzenoid - Substituted pyrrole - Pyridine - N-methylpyrrole - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Amino acid - Lactam - Amino acid or derivatives - Oxacycle - Azacycle - Secondary amine - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - 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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