Compound Identification
SMILES
Cl.O=C1C(CCN2C=NC=C2CC2=CC=C(C=C2)C#N)CCN1CC1=CC=CC=C1
InChIKey
InChIKey=ZBNFZOBXXBCENJ-UHFFFAOYSA-N
Formula
C24H25ClN4O
Mass
420.94
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
Pyrrolidine-2-ones N-substituted imidazoles N-alkylpyrrolidines Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - N-substituted imidazole - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Azole - Imidazole - Pyrrolidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Hydrochloride - Organic oxide - 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