Compound Identification
SMILES
OC(=O)C(F)(F)F.CN1C2=CC=CC=C2C(=CC(N)[N+]1=O)N1CC2CCC(CC2)C1
InChIKey
InChIKey=XDXWADQIFQMRBV-UHFFFAOYSA-N
Formula
C20H26F3N4O3
Mass
427.448
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Azepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azepanes
Alternative Parents
Benzenoids Alpha-halocarboxylic acids Trialkylamines Organic oxoazanium compounds Monocarboxylic acids and derivatives Enamines Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic cations
Molecular Framework
Not available
Substituents
Azepane - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Enamine - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Amine - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom.
External Descriptors
Not available