Compound Identification
SMILES
CC(C)(C)OC(=O)C1=C2[C@@H]3CCCN3C(=O)C3=C(C=CC(=C3)C#C)N2C=N1
InChIKey
InChIKey=KNZNHUNBVIKNJP-INIZCTEOSA-N
Formula
C21H21N3O3
Mass
363.417
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
Imidazo[1,5-a][1,4]benzodiazepines
Alternative Parents
1,4-diazepines Carbonylimidazoles Benzenoids N-substituted imidazoles Vinylogous amides Tertiary carboxylic acid amides Pyrrolidines Heteroaromatic compounds Carboxylic acid esters Lactams Azacyclic compounds Acetylides Organooxygen compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Imidazo[1,5-a][1,4]benzodiazepine - Para-diazepine - Imidazole-4-carbonyl group - N-substituted imidazole - Benzenoid - Azole - Imidazole - Pyrrolidine - Tertiary carboxylic acid amide - Vinylogous amide - Heteroaromatic compound - Lactam - Carboxylic acid ester - Carboxamide group - Acetylide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as imidazo[1,5-a][1,4]benzodiazepines. These are compounds containing an imidazole ring and a 1,4-benzodiazepine ring system, both sharing one nitrogen atom.
External Descriptors
Not available