Compound Identification
SMILES
CCCN1CC(NC2=C(C=CC=C2C2=CC=CO2)C#N)=CC1=O
InChIKey
InChIKey=XSBJERWARWMLIR-UHFFFAOYSA-N
Formula
C18H17N3O2
Mass
307.353
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
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
Aniline and substituted anilines Secondary alkylarylamines Vinylogous amides Tertiary carboxylic acid amides Pyrrolines Furans Heteroaromatic compounds Amino acids and derivatives Lactams Nitriles Enamines Azacyclic compounds Oxacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Furan - Heteroaromatic compound - Pyrroline - Tertiary carboxylic acid amide - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Lactam - Carboxylic acid derivative - Enamine - Carbonitrile - Nitrile - Oxacycle - Azacycle - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Cyanide - Amine - Organic nitrogen compound - 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