Compound Identification
SMILES
CCN(CC)CCN1CCCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)-c3csc(n3)-c3ccccc3)c(C)c2C1=O
InChIKey
InChIKey=WORCPAGOCMKHEW-PLRJNAJWSA-N
Formula
C33H35N5O2S
Mass
565.74
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
Indolines 2,4-disubstituted thiazoles Azepines Benzene and substituted derivatives Substituted pyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Vinylogous amides Lactams Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloazepine - Indole or derivatives - Dihydroindole - 2,4-disubstituted 1,3-thiazole - Azepine - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Azole - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Vinylogous amide - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Amine - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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