Compound Identification
SMILES
CC1=CC2=C(NC(=C2CCC(=O)N2CCN(CC2)C2=CC3=C(OCO3)C=C2)C2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=LTDJCTHWESNKPS-UHFFFAOYSA-N
Formula
C29H28BrN3O3
Mass
546.465
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
Indoles
- Level 5 2-phenylindoles
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Subclass
Indoles
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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
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
2-phenylindoles
Alternative Parents
Tryptamines and derivatives N-arylpiperazines Phenylpyrroles 3-alkylindoles Benzodioxoles Dialkylarylamines Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Oxacyclic compounds Acetals Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylindole - Triptan - N-arylpiperazine - 2-phenylpyrrole - 3-alkylindole - Benzodioxole - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Azacycle - Oxacycle - Acetal - Carboxylic acid derivative - Amine - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organopnictogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl group.
External Descriptors
Not available