Compound Identification
SMILES
COC1=CC=CC(C2OC(CC(=O)N3CCC(O)CC3)C3=NOC(C(C)C)=C3C3=C2C=C(Cl)C=C3)=C1OC
InChIKey
InChIKey=PJCFHKYGOIMPJM-UHFFFAOYSA-N
Formula
C29H33ClN2O6
Mass
541.04
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
Dimethoxybenzenes N-acylpiperidines Phenoxy compounds Anisoles Alkyl aryl ethers Aryl chlorides Tertiary carboxylic acid amides Isoxazoles Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - O-dimethoxybenzene - Dimethoxybenzene - N-acyl-piperidine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Isoxazole - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Carboxamide group - Secondary alcohol - Oxacycle - Dialkyl ether - Azacycle - Ether - Carboxylic acid derivative - Alcohol - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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