Compound Identification
SMILES
CCC[NH+](CC(=O)C(\C#N)=C1/NN=C2CCCCCN12)CC1=NN=C(O1)C1=CC=CO1
InChIKey
InChIKey=XSWNDHQULFOLAG-HMMYKYKNSA-O
Formula
C21H26N7O3
Mass
424.484
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
Aralkylamines Imidolactams Vinylogous amides Enones Furans Heteroaromatic compounds Alpha-amino ketones Triazolines Acryloyl compounds 1,3,4-oxadiazoles Quaternary ammonium salts Ketene acetals Amidrazones Trialkylamines Amidines Nitriles Azacyclic compounds Hydrazones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Azepane - Aralkylamine - Imidolactam - Furan - Enone - Azole - Oxadiazole - Quaternary ammonium salt - 1,3,4-oxadiazole - Acryloyl-group - Vinylogous amide - Alpha-aminoketone - Heteroaromatic compound - Triazoline - Tertiary aliphatic amine - Ketene acetal or derivatives - Ketone - Carboxylic acid amidrazone - Tertiary amine - Nitrile - Hydrazone - Azacycle - Oxacycle - Carbonitrile - Amidine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - 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