Structure Information
Structure

Compound Identification

SMILES

Br.COC(=O)C1=C(C)NC2=C(OC(=O)N3CCN(C)CC3)C=C3N(C[C@@H](CBr)C3=C12)C(=O)C1=CC2C=C(OC)C(OC)=C(OC)C2N1

InChIKey

InChIKey=JALRQNYTBWZXKJ-RZDYCKLASA-N

Formula

C32H39Br2N5O8

Mass

781.499

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Pyrroloindoles

Intermediate Tree Nodes

Not available

Direct Parent

Pyrroloindoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indolecarboxylic acid derivative - Pyrroloindole - Alpha-amino acid or derivatives - Indole - Piperazine-1-carboxylic acid - Pyrrole-3-carboxylic acid or derivatives - Pyrroline carboxylic acid or derivatives - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Substituted pyrrole - Benzenoid - Methyl ester - Tertiary carboxylic acid amide - Vinylogous amide - Carbamic acid ester - Heteroaromatic compound - Pyrrole - Pyrroline - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Organooxygen compound - Organic oxygen compound - Organic oxide - Alkyl bromide - Organohalogen compound - Amine - Organobromide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Alkyl halide - Organonitrogen compound - Hydrobromide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.

External Descriptors

Not available

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