Compound Identification
SMILES
CC1=CC=C(CN2CC(=O)N3C(CC4=C(NC5=CC=CC=C45)C3C3=CC=C(Br)C=C3)C2=O)C=C1
InChIKey
InChIKey=KQUXOLSALFUQSK-UHFFFAOYSA-N
Formula
C28H24BrN3O2
Mass
514.423
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
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Subclass
Pyridoindoles
- Level 5 Beta carbolines
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Subclass
Pyridoindoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Pyridoindoles
Intermediate Tree Nodes
Not available
Direct Parent
Beta carbolines
Alternative Parents
3-alkylindoles Alpha amino acids and derivatives 2,5-dioxopiperazines Toluenes N-alkylpiperazines Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-carboline - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Dioxopiperazine - 2,5-dioxopiperazine - Halobenzene - Bromobenzene - Toluene - N-alkylpiperazine - Aryl halide - Piperazine - Aryl bromide - 1,4-diazinane - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organobromide - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
External Descriptors
Not available