Compound Identification
SMILES
CN1CC=C2[C@H](C1)[C@@H](C1=CC=C(OCC(N)=O)C=C1)C(C#N)(C#N)C(N)=C2C#N
InChIKey
InChIKey=DKKWBVZJPMHMMX-PKOBYXMFSA-N
Formula
C21H20N6O2
Mass
388.431
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol ethers
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds Aralkylamines Alkyl aryl ethers Trialkylamines Primary carboxylic acid amides Amino acids and derivatives Nitriles Enamines Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Enamine - Ether - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Primary aliphatic amine - Organic oxygen compound - Amine - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors
Not available