Compound Identification
SMILES
NC(=N)C1=CC=C(C=C1)C1=C(CC(=O)OCC(O)CO)C2=C(N1)C=C(C=C2)C(N)=N
InChIKey
InChIKey=WGTUPYSETNKPGF-UHFFFAOYSA-N
Formula
C21H23N5O4
Mass
409.446
Taxonomic Classification
Taxonomy Tree
-
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
-
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
Indole-3-acetic acid derivatives Phenylpyrroles 3-alkylindoles 1-monoacylglycerols Benzene and substituted derivatives Heteroaromatic compounds 1,2-diols Secondary alcohols Carboxylic acid esters Carboximidamides Carboxamidines Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylindole - Indole-3-acetic acid derivative - Indolyl carboxylic acid derivative - 2-phenylpyrrole - 3-alkylindole - 1-acyl-sn-glycerol - Monoacylglycerol - Monoradylglycerol - Glycerolipid - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Carboxylic acid ester - Azacycle - Carboximidamide - Amidine - Monocarboxylic acid or derivatives - Carboxylic acid amidine - Carboxylic acid derivative - Primary alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - 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