Compound Identification
SMILES
COC1=CC=CC(C2NC3=CC=CC=C3C3=C(O2)N=C(SCC2=CC=CC=C2F)N=N3)=C1OCC1=CC=CC=C1
InChIKey
InChIKey=MQMAMKNHOBZSGF-UHFFFAOYSA-N
Formula
C31H25FN4O3S
Mass
552.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazepines
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines 1,3-oxazepines Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes 1,2,4-triazines Aryl fluorides Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Anisole - Phenol ether - Methoxybenzene - Aryl thioether - Phenoxy compound - Meta-oxazepine - Fluorobenzene - Halobenzene - Alkyl aryl ether - Alkylarylthioether - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,2,4-triazine - Benzenoid - Triazine - Heteroaromatic compound - Sulfenyl compound - Thioether - Secondary amine - Oxacycle - Ether - Azacycle - Organosulfur compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).
External Descriptors
Not available