Compound Identification
SMILES
COC1=C(C=C(Cl)C=C1)C1=CC2=C(NC(=O)C3CN(CCN3C2=O)C(=O)C2=CN=CC=C2)C=C1
InChIKey
InChIKey=ZAQRZHFKUGJYSM-UHFFFAOYSA-N
Formula
C25H21ClN4O4
Mass
476.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
-
Class
Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-benzodiazepines
Alternative Parents
Alpha amino acids and derivatives Pyridinecarboxylic acids and derivatives Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Piperazines Heteroaromatic compounds Tertiary carboxylic acid amides Vinylogous amides Lactams Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Pyridine carboxylic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - 1,4-diazinane - Monocyclic benzene moiety - Aryl halide - Piperazine - Pyridine - Benzenoid - Vinylogous amide - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
External Descriptors
Not available