Compound Identification
SMILES
CCOC(=O)C1=C2N3CCCCCC3=NN2C(=O)NC1(C1=CC=CC=C1)C(F)(F)F
InChIKey
InChIKey=MXDGSMOCFGGJKN-UHFFFAOYSA-N
Formula
C20H21F3N4O3
Mass
422.408
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
Pyrimidones Benzene and substituted derivatives Imidolactams Hydropyrimidines Vinylogous amides Triazolines Semicarbazides Enoate esters Amidrazones Ketene acetals Amidines Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Alkyl fluorides Amines Carbonyl compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Azepane - Pyrimidone - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Imidolactam - Triazoline - Semicarbazide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Ketene acetal or derivatives - Carboxylic acid amidrazone - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Amidine - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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