Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(\N=NC1=CC=C(Cl)C=C1)=C1\CNN2C(=NN(C3=CC=C(Cl)C=C3)C2(C)C=C1C)C(=O)OCC

InChIKey

InChIKey=ASFSQDWBEHRQIL-DHIWYGQASA-N

Formula

C27H28Cl2N6O4

Mass

571.46

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Triazolodiazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Triazolodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Triazolo-ortho-diazepine - Ortho-diazepine - Halobenzene - Chlorobenzene - Dicarboxylic acid or derivatives - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Imidolactam - Aryl halide - Alpha,beta-unsaturated carboxylic ester - Triazoline - Enoate ester - Carboxylic acid amidrazone - Carboxylic acid ester - Azo compound - Amidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Hydrazone - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as triazolodiazepines. These are heterocyclic aromatic compounds containing a triazole ring fused to a diazepine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.

External Descriptors

Not available

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