Compound Identification
SMILES
COC1=CC2=C(OCC3=C(C=CC=N3)C2(CCCN2CCC(O)(CC2)C2=NC=C(Cl)C=C2)C#N)C=C1
InChIKey
InChIKey=GBKWEJVJBJGHCG-UHFFFAOYSA-N
Formula
C28H29ClN4O3
Mass
505.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxepines
Alternative Parents
Anisoles Aralkylamines Alkyl aryl ethers Pyridines and derivatives Piperidines Aryl chlorides Tertiary alcohols Heteroaromatic compounds Trialkylamines Oxacyclic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Piperidine - Pyridine - Heteroaromatic compound - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Nitrile - Carbonitrile - Ether - Oxacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Amine - Organic oxygen compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).
External Descriptors
Not available