Compound Identification
SMILES
OC(=O)C(F)(F)F.FC(F)(CNC1=NC=CN(CC(=O)NCC2=CC=CC=C2N2C=NN=N2)C1=O)C1=CC=CC=N1
InChIKey
InChIKey=CTIBRPIJOHBLOY-UHFFFAOYSA-N
Formula
C23H20F5N9O4
Mass
581.464
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Tetrazoles
- Level 5 Phenyltetrazoles and derivatives
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Subclass
Tetrazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Tetrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenyltetrazoles and derivatives
Alternative Parents
Secondary alkylarylamines Aminopyrazines Pyridines and derivatives Imidolactams Benzene and substituted derivatives Alpha-halocarboxylic acids Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
Phenyltetrazole - Aminopyrazine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrazine - Pyridine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Secondary amine - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organonitrogen compound - Organic nitrogen compound - Organohalogen compound - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Amine - Organooxygen compound - Organofluoride - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
External Descriptors
Not available