Compound Identification
SMILES
CC(O)=O.NCCCN1C2=CC=CC=C2C(=C1C1=CC=C(Cl)C=C1)C1=NC2=CC3=C(NC(=O)N3)C=C2NC1=O
InChIKey
InChIKey=VKKIJWABBFGNMF-UHFFFAOYSA-N
Formula
C28H25ClN6O4
Mass
545.0
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
Phenylpyrroles Quinoxalines N-alkylindoles Benzimidazoles Chlorobenzenes Pyrazines Aryl chlorides Imidazoles Heteroaromatic compounds Ureas Lactams Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Not available
Substituents
2-phenylindole - 2-phenylpyrrole - Diazanaphthalene - Quinoxaline - N-alkylindole - Benzimidazole - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Pyrazine - Substituted pyrrole - Monocyclic benzene moiety - Benzenoid - Azole - Imidazole - Pyrrole - Heteroaromatic compound - Urea - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Organohalogen compound - Organochloride - 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