Compound Identification
SMILES
CC(C)(C)OC(=O)N1C=C(C[C@@H]2CN3C=C(CC[C@@H]3CN2C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C2=CN=CN=C2)C2=CC=CC=C12
InChIKey
InChIKey=YGDOQCGAOLJNFQ-VSGBNLITSA-N
Formula
C35H33F6N5O3
Mass
685.671
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
Indolecarboxylic acids and derivatives
- Level 5 Indolecarboxylic acids
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Subclass
Indolecarboxylic acids and derivatives
-
Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolecarboxylic acids
Alternative Parents
Trifluoromethylbenzenes 3-alkylindoles Benzamides Benzoyl derivatives Pyrrole carboxylic acids and derivatives Tetrahydropyridines Aralkylamines Pyrimidines and pyrimidine derivatives Piperazines Substituted pyrroles Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Enamines Azacyclic compounds Alkyl fluorides Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid - Trifluoromethylbenzene - 3-alkylindole - Benzamide - Benzoic acid or derivatives - Indole - Benzoyl - Pyrrole-1-carboxylic acid or derivatives - Aralkylamine - Tetrahydropyridine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyrimidine - Substituted pyrrole - Benzenoid - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Azacycle - Carboxylic acid derivative - Enamine - Amine - Alkyl halide - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
External Descriptors
Not available