Compound Identification
SMILES
COCCNC1=C(C=CC=N1)C1=NOC(=N1)C1CCCN1CC1=CC=CC(=C1)C#N
InChIKey
InChIKey=JWJVBNHCBGBWCL-UHFFFAOYSA-N
Formula
C22H24N6O2
Mass
404.474
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylmethylamines
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylmethylamines
Alternative Parents
Benzylamines Benzonitriles Aralkylamines Aminopyridines and derivatives N-alkylpyrrolidines Imidolactams Heteroaromatic compounds 1,2,4-oxadiazoles Trialkylamines Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Benzylamine - Phenylmethylamine - Aminopyridine - Aralkylamine - Pyridine - N-alkylpyrrolidine - Imidolactam - Pyrrolidine - 1,2,4-oxadiazole - Heteroaromatic compound - Oxadiazole - Azole - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Oxacycle - Azacycle - Dialkyl ether - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
External Descriptors
Not available