Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(S1)C1=CC2=C(OCCN(C2)C(=O)C2=C3N=CC=CN3N=C2)C(OC[C@@H]2CCCCO2)=C1

InChIKey

InChIKey=YJHOGFVQTXNGQZ-NRFANRHFSA-N

Formula

C27H28N4O4S

Mass

504.61

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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 - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Phenol ether - Pyrazole-4-carboxamide - 2,5-disubstituted thiophene - Alkyl aryl ether - Oxane - Benzenoid - Pyrimidine - Heteroaromatic compound - Pyrazole - Vinylogous amide - Thiophene - Tertiary carboxylic acid amide - Azole - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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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