Compound Identification
SMILES
COC(=O)C1=C(C)NC2=C(OC(=O)N3CCN(C)CC3)C=C3N(C[C@@H](CBr)C3=C12)C(=O)\C=C\C1=CC(OC)=CS1
InChIKey
InChIKey=RBHQFLYLEXCDQD-FUTAKVPZSA-N
Formula
C28H31BrN4O6S
Mass
631.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
- Subclass Pyrroloindoles
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Class
Indoles and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Pyrroloindoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyrroloindoles
Alternative Parents
Indolecarboxylic acids and derivatives Indoles Piperazine carboxylic acids Pyrrole carboxylic acids and derivatives Alkyl aryl ethers N-methylpiperazines Benzenoids Substituted pyrroles Vinylogous amides Carbamate esters Heteroaromatic compounds Thiophenes Tertiary carboxylic acid amides Methyl esters Trialkylamines Azacyclic compounds Hydrocarbon derivatives Alkyl bromides Carbonyl compounds Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - Pyrroloindole - Indole - Piperazine-1-carboxylic acid - Pyrrole-3-carboxylic acid or derivatives - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - Benzenoid - Substituted pyrrole - Piperazine - 1,4-diazinane - Methyl ester - Vinylogous amide - Carbamic acid ester - Thiophene - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Alkyl bromide - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organic oxide - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxygen compound - Organohalogen compound - Organobromide - 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