Compound Identification
SMILES
CC1=CC(\C=C\C#N)=CC(C)=C1NC1=NC(NC2=CC=C(C=C2)C#N)=NC(CNCC2COC(C)(C)O2)=C1
InChIKey
InChIKey=PNVFEOJSDRZJTI-AATRIKPKSA-N
Formula
C29H31N7O2
Mass
509.614
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
m-Xylenes Styrenes Aniline and substituted anilines Ketals Aralkylamines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds 1,3-dioxolanes Oxacyclic compounds Nitriles Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - M-xylene - Xylene - Styrene - Aniline or substituted anilines - Aminopyrimidine - Ketal - Aralkylamine - Pyrimidine - Imidolactam - Meta-dioxolane - Heteroaromatic compound - Acetal - Secondary aliphatic amine - Carbonitrile - Nitrile - Secondary amine - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - 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