Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCCCCCOC2=CC3=C(C=C2)N=C(C)N(C3=O)C2=C(C)C=C(I)C=C2)C=C2N=C[C@@H]3CCCN3C(=O)C2=C1

InChIKey

InChIKey=SKGHLRYGVBVAEP-DEOSSOPVSA-N

Formula

C34H35IN4O5

Mass

706.581

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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

Pyrrolo[2,1-c][1,4]benzodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrrolo[2,1-c][1,4]benzodizepine - Quinazoline - Diazanaphthalene - Anisole - Halobenzene - Iodobenzene - Toluene - Pyrimidone - Alkyl aryl ether - Aryl halide - Aryl iodide - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Imine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrolo[2,1-c][1,4]benzodiazepines. These are heterocyclic aromatic compounds containing a 1,4-benzodiazepine ring system that is fused to, and shared a nitrogen atom with a pyrrole ring.

External Descriptors

Not available

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