Compound Identification
SMILES
ClC1=CC=CC=C1C(=O)OC1=CC2=CC=CC=C2C(C=C(C#N)C2=NN=C3CCCCCN23)=C1
InChIKey
InChIKey=VZQUORNTMOVBPK-UHFFFAOYSA-N
Formula
C27H21ClN4O2
Mass
468.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenes
Alternative Parents
2-halobenzoic acids and derivatives Phenol esters Benzoic acid esters Benzoyl derivatives Azepines Chlorobenzenes Aryl chlorides Vinylogous halides Triazoles Heteroaromatic compounds Carboxylic acid esters Nitriles Azacyclic compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Naphthalene - Phenol ester - Benzoic acid or derivatives - Benzoyl - Azepine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Vinylogous halide - 1,2,4-triazole - Carboxylic acid ester - Nitrile - Carbonitrile - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Cyanide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
External Descriptors
Not available