Compound Identification
SMILES
CCOC(=O)[C@]12N3CC4=CC=CC(C#C)=C4CN1C(=O)N1CC4=C(OC)C=CC(OC)=C4CN(C3=O)[C@@]21C(=O)OCC
InChIKey
InChIKey=KAFKWKXZJLCIKC-XZWHSSHBSA-N
Formula
C30H30N4O8
Mass
574.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodiazepines
Alternative Parents
Imidazodiazepines Alpha amino acids and derivatives Anisoles Alkyl aryl ethers 1,3-diazepines Imidazolidinones Dicarboxylic acids and derivatives Ureas Carboxylic acid esters Azacyclic compounds Acetylides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Alpha-amino acid or derivatives - Imidazo-meta-diazepine - Anisole - Phenol ether - Meta-diazepine - Alkyl aryl ether - Dicarboxylic acid or derivatives - Benzenoid - Imidazolidinone - Imidazolidine - Urea - Carboxylic acid ester - Ether - Azacycle - Carboxylic acid derivative - Acetylide - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
External Descriptors
Not available