Compound Identification
SMILES
CCOC(=O)C1=CN2C(OC1=N)=CC(C)=NC1=CC=CC=C21
InChIKey
InChIKey=BUXQQMFOGKAHIJ-UHFFFAOYSA-N
Formula
C16H15N3O3
Mass
297.314
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazepines
- Subclass 1,4-diazepines
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Class
Diazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazepines
Subclass
1,4-diazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-diazepines
Alternative Parents
Benzenoids Vinylogous amides Enoate esters Ketimines Ketene acetals Imidoesters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Para-diazepine - Benzenoid - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Imido ester - Ketene acetal or derivatives - Ketimine - Carboxylic acid derivative - Enamine - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Imine - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-diazepines. These are organic compounds containing 1,4-diazepine, a seven-member heterocyclic ring with two nitrogen atoms in positions 1 and 4.
External Descriptors
Not available