Compound Identification
SMILES
COC(=O)C1=C2CCN(CC3=CC=CS3)CCN2C(=O)C=C1OCC1=CC=NC=C1
InChIKey
InChIKey=FTRGWJAEPMPCHL-UHFFFAOYSA-N
Formula
C22H23N3O4S
Mass
425.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyridodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridodiazepines
Alternative Parents
Pyridinecarboxylic acids Pyridinones Aralkylamines Alkyl aryl ethers Vinylogous esters Vinylogous amides Thiophenes Methyl esters Heteroaromatic compounds Trialkylamines Lactams Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido-para-diazepine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Alkyl aryl ether - Pyridinone - Aralkylamine - Pyridine - Heteroaromatic compound - Vinylogous ester - Vinylogous amide - Methyl ester - Thiophene - Amino acid or derivatives - Carboxylic acid ester - Lactam - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridodiazepines. These are heterocyclic compounds containing a pyridine fused to a diazepine ring. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Diazepine is a 7-membered ring consisting of five carbon atoms and two nitrogen centers.
External Descriptors
Not available