Compound Identification
SMILES
CCN(CC)C1=CC(NC(C)=O)=C(C=C1)N=NC1=NC(Cl)=C(S1)C=C1C(=O)C2=CC=CC=C2C1=C(C#N)C#N
InChIKey
InChIKey=QNVMQOMOPBFLOI-UHFFFAOYSA-N
Formula
C28H22ClN7O2S
Mass
556.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Indanes
Subclass
Indanones
Intermediate Tree Nodes
Not available
Direct Parent
Indanones
Alternative Parents
Acetanilides N-acetylarylamines 2,4,5-trisubstituted thiazoles Aniline and substituted anilines Aryl ketones Dialkylarylamines Aryl chlorides Heteroaromatic compounds Acetamides Amino acids and derivatives Azo compounds Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indanone - Acetanilide - Anilide - N-acetylarylamine - N-arylamide - Aniline or substituted anilines - Dialkylarylamine - 2,4,5-trisubstituted 1,3-thiazole - Aryl ketone - Tertiary aliphatic/aromatic amine - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Azole - Heteroaromatic compound - Acetamide - Thiazole - Amino acid or derivatives - Azo compound - Carboxamide group - Ketone - Secondary carboxylic acid amide - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Carbonyl group - Cyanide - Hydrocarbon derivative - Amine - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organic oxide - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
External Descriptors
Not available