Compound Identification
SMILES
FC1=C2OCCN3C4=C(CCN(CC4)C(=O)OCC4=CC=CC=C4)C(C=C1)=C23
InChIKey
InChIKey=PEXJSKNZTXLWFA-UHFFFAOYSA-N
Formula
C22H21FN2O3
Mass
380.419
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrroloazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroloazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrroloazepines
Alternative Parents
3-alkylindoles Benzyloxycarbonyls Benzoxazines Alkyl aryl ethers Azepines Aryl fluorides Pyrroles Heteroaromatic compounds Carbamate esters Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazine - 3-alkylindole - Pyrroloazepine - Benzyloxycarbonyl - Indole - Indole or derivatives - Alkyl aryl ether - Azepine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Pyrrole - Oxacycle - Azacycle - Ether - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrroloazepines. These are compounds containing a pyrroloazepine moiety, which is a bicyclic heterocycle which consists of a pyrrole ring fused to an azepine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Azepine is a 7-membered ring consisting of six carbon and one nitrogen atom.
External Descriptors
Not available