Compound Identification
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC2=C(C=C1)C1=C(CCO2)C(=NN1)C1=CC=C(F)C=C1
InChIKey
InChIKey=NJZAPKWXZCBWAT-KRWDZBQOSA-N
Formula
C23H21FN4O4
Mass
436.443
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
Phenylpyrazoles Alkyl aryl ethers Fluorobenzenes Oxazolidinones Aryl fluorides Acetamides Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organic oxides Organonitrogen compounds Organofluorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Phenylpyrazole - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazolidinone - Azole - Heteroaromatic compound - Acetamide - Carbamic acid ester - Pyrazole - Oxazolidine - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Oxacycle - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen 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