Compound Identification
SMILES
COC1=CC=CC(=C1)C(=O)N1CCN(CC2=CN=CN2)C2=C(C1)C=C(C=C2)C1=CC=CC=C1
InChIKey
InChIKey=JNQCUKPIPPKQDE-UHFFFAOYSA-N
Formula
C27H26N4O2
Mass
438.531
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
Benzamides Phenoxy compounds Methoxybenzenes Anisoles Dialkylarylamines Benzoyl derivatives Alkyl aryl ethers Aralkylamines Tertiary carboxylic acid amides Imidazoles Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Methoxybenzene - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Imidazole - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Amine - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - 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