Compound Identification
SMILES
COC(=O)C1=CC=C(CN2C=NC3=C2NC=NCC3O)C=C1
InChIKey
InChIKey=QAQIOWWCOTYXJM-UHFFFAOYSA-N
Formula
C15H16N4O3
Mass
300.318
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Imidazodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Imidazodiazepines
Alternative Parents
Benzoic acid esters Benzoyl derivatives 1,3-diazepines N-substituted imidazoles Methyl esters Heteroaromatic compounds Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Formamidines Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Imidazo-meta-diazepine - Imidazodiazepine - Benzoic acid or derivatives - Benzoyl - Meta-diazepine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Methyl ester - Secondary alcohol - Carboxylic acid ester - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amidine - Azacycle - Carboxylic acid derivative - Carboxylic acid amidine - Formamidine - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Alcohol - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as imidazodiazepines. These are organic compounds containing an imidazole ring fused to a diazepine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.
External Descriptors
Not available