Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCOC1=C(OC)C=C2C(=C1)N=C[C@@H]1CCCN1C2=O.CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(NC=O)=CN3C)=CN2C)C=C1C(=O)NCCC(N)=N

InChIKey

InChIKey=ODDCESZVGLRPTM-WUSPCOQVSA-N

Formula

C39H47N11O9

Mass

813.873

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodiazepines

Subclass

1,4-benzodiazepines

Intermediate Tree Nodes

Not available

Direct Parent

1,4-benzodiazepines

Alternative Parents

Molecular Framework

Not available

Substituents

1,4-benzodiazepine - 2-heteroaryl carboxamide - Anisole - Phenol ether - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - N-arylamide - Alkyl aryl ether - N-methylpyrrole - Substituted pyrrole - Benzenoid - Methyl ester - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Carboxylic acid ester - Secondary carboxylic acid amide - Lactam - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid amidine - Carboximidamide - Carboxylic acid derivative - Amidine - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Imine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.

External Descriptors

Not available

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