Compound Identification
SMILES
Cl.CN(C)C(=N)N=C(N)N.CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=CC=CC=C2C#N)C1=O
InChIKey
InChIKey=QBZIUBASMTZXMT-QCUBGVIVSA-N
Formula
C22H33ClN10O2
Mass
505.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Dialkylarylamines Pyrimidones Aminopiperidines Aminopyrimidines and derivatives Biguanides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Propargyl-type 1,3-dipolar organic compounds Nitriles Azacyclic compounds Carboximidamides Hydrocarbon derivatives Hydrochlorides Imines Monoalkylamines Organic oxides Organooxygen compounds
Molecular Framework
Not available
Substituents
Benzonitrile - Dialkylarylamine - 3-aminopiperidine - Aminopyrimidine - Biguanide - Pyrimidone - Hydropyrimidine - Piperidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Guanidine - Lactam - Tertiary amine - Urea - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Hydrochloride - Imine - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available