Compound Identification
SMILES
OCCC1=CC=C(OC2=CN=C(NC(=O)N[C@@H]3[C@H]4COC5=C(F)C=CC(F)=C5[C@H]34)C=C2)C=C1
InChIKey
InChIKey=WRPPTQFLZZPOAY-SAWYMBPVSA-N
Formula
C24H21F2N3O4
Mass
453.446
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
Diarylethers Tyrosols and derivatives 1-benzopyrans Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyridines and derivatives Aryl fluorides Imidolactams Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Diaryl ether - Chromane - Benzopyran - Tyrosol derivative - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Imidolactam - Benzenoid - Pyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Urea - Oxacycle - Azacycle - Ether - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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