Compound Identification
SMILES
COC1=C(Cl)C=C(C=C1)[C@H]1N2[C@H](CC3=C1NC1=CC=CC=C31)C(=O)N(C)CC2=O
InChIKey
InChIKey=TXELQQBHZDWVMC-DYESRHJHSA-N
Formula
C22H20ClN3O3
Mass
409.87
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
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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 Phenoxy compounds 2,5-dioxopiperazines Methoxybenzenes Anisoles Alkyl aryl ethers N-methylpiperazines Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-carboline - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Phenoxy compound - Anisole - Dioxopiperazine - Methoxybenzene - 2,5-dioxopiperazine - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - N-alkylpiperazine - N-methylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Ether - Organohalogen compound - Organochloride - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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