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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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 Piperazine carboxylic acids Indoles Secondary alkylarylamines Alkyl aryl ethers N-methylpiperazines Pyrimidines and pyrimidine derivatives Benzenoids Tertiary carboxylic acid amides Carbamate esters Methyl esters Enoate esters Heteroaromatic compounds Trialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic chloride salts Organic oxides Organic zwitterions Alkyl bromides Organobromides
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