Compound Identification
SMILES
CC1=CC(CCN2C=NC3=C2NC=NCC3O)=C(C=C1)C(O)=O
InChIKey
InChIKey=OGAHXMXSCIVFBY-UHFFFAOYSA-N
Formula
C16H18N4O3
Mass
314.345
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 acids Benzoyl derivatives Toluenes 1,3-diazepines N-substituted imidazoles Heteroaromatic compounds Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Formamidines Carboxylic acids Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Imidazo-meta-diazepine - Imidazodiazepine - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Meta-diazepine - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Secondary alcohol - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amidine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Carboxylic acid amidine - Formamidine - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organooxygen compound - Alcohol - 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