Compound Identification
SMILES
CN1C2=C(CN(CCC2)C(=O)OC(C)(C)C)C2=C1C=C(C=C2)N1C=CC(OCC2=C(F)C=C(F)C=C2)=CC1=O
InChIKey
InChIKey=XAWRFQBJMRZRFH-UHFFFAOYSA-N
Formula
C30H31F2N3O4
Mass
535.592
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 N-alkylindoles Pyridinones Alkyl aryl ethers Azepines Dihydropyridines Fluorobenzenes Aryl fluorides N-methylpyrroles Heteroaromatic compounds Carbamate esters Vinylogous esters Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Carbonyl compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-alkylindole - 3-alkylindole - Pyrroloazepine - Indole - Indole or derivatives - Alkyl aryl ether - Azepine - Dihydropyridine - Fluorobenzene - Halobenzene - Pyridinone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - N-methylpyrrole - Pyridine - Benzenoid - Substituted pyrrole - Carbamic acid ester - Pyrrole - Vinylogous ester - Heteroaromatic compound - Lactam - Ether - Azacycle - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - 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