Compound Identification
SMILES
COC1=C(Br)C=C(C=C1)C(N1CCC2=C(C1)NC1=CC=CC=C21)C1=NN=NN1C1=C(C)C=CC=C1C
InChIKey
InChIKey=HDGOCEGVAKHTLM-UHFFFAOYSA-N
Formula
C28H27BrN6O
Mass
543.469
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
Phenyltetrazoles and derivatives 3-alkylindoles m-Xylenes Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Aralkylamines Bromobenzenes Aryl bromides Pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-carboline - Phenyltetrazole - 3-alkylindole - Indole - Anisole - Phenoxy compound - Phenol ether - M-xylene - Methoxybenzene - Xylene - Alkyl aryl ether - Aralkylamine - Halobenzene - Bromobenzene - Benzenoid - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Tetrazole - Pyrrole - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - 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