Compound Identification
SMILES
ClC1=CC=C(S1)C(=O)N1CC2=CC=CC=C2N(CC2CCN(CC2)C2=CC=NC=C2)C(=O)C1
InChIKey
InChIKey=PJEYKSCWPKRCNU-UHFFFAOYSA-N
Formula
C25H25ClN4O2S
Mass
481.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
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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 Thiophene carboxamides 2-heteroaryl carboxamides Dialkylarylamines 2,5-disubstituted thiophenes Aminopyridines and derivatives Piperidines Aryl chlorides Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Carbonyl compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - 2-heteroaryl carboxamide - Tertiary aliphatic/aromatic amine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Dialkylarylamine - 2,5-disubstituted thiophene - Aminopyridine - Aryl chloride - Aryl halide - Benzenoid - Piperidine - Pyridine - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organohalogen compound - Organochloride - 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