Compound Identification
SMILES
CC1=CC=C(C=C1)C1=CC2=C(OCCC(=C2)C(=O)NC2=CC=C(CNCCCCO)C=C2)C=C1
InChIKey
InChIKey=GIBFMJCMUKAQKD-UHFFFAOYSA-N
Formula
C29H32N2O3
Mass
456.586
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
Anilides Benzylamines N-arylamides Phenylmethylamines Alkyl aryl ethers Toluenes Aralkylamines Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Alkanolamines Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Anilide - Benzylamine - Phenylmethylamine - N-arylamide - Alkyl aryl ether - Toluene - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Alkanolamine - Oxacycle - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Primary alcohol - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - 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