Compound Identification
SMILES
ClCCN(CCCl)C1=CC=C(CN2CCCN(CC3=CC=C(C=C3)N(CCCl)CCCl)C2C2=CC=C(C=C2)C#N)C=C1
InChIKey
InChIKey=VGFNCOOTAVCTLD-UHFFFAOYSA-N
Formula
C33H39Cl4N5
Mass
647.51
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
Nitrogen mustard compounds Dialkylarylamines Benzylamines Aniline and substituted anilines Diazinanes Nitriles Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Benzylamine - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - 1,3-diazinane - Tertiary amine - Organoheterocyclic compound - Nitrile - Carbonitrile - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Alkyl chloride - Alkyl halide - Hydrocarbon derivative - Organopnictogen compound - 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