Structure Information
Structure

Compound Identification

SMILES

[Cl-].COC(=O)C1=C(C)[NH2+]C2=C(OC(=O)N3CCN(C)CC3)C=C3N(C[C@@H](CBr)C3=C12)C(=O)\C=C\C1=CN=C(OC)N=C1

InChIKey

InChIKey=ICKMYFOFTQPZRW-QHPUVKLJSA-N

Formula

C28H32BrClN6O6

Mass

663.95

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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 - Indole - Piperazine-1-carboxylic acid - Alkyl aryl ether - Secondary aliphatic/aromatic amine - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyrimidine - Benzenoid - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Tertiary carboxylic acid amide - Carbamic acid ester - Enoate ester - Methyl ester - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Carboxylic acid ester - Secondary amine - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic zwitterion - Organohalogen compound - Organobromide - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic chloride salt - Carbonyl group - Alkyl halide - Organic salt - Amine - Alkyl bromide - 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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