Compound Identification
SMILES
COC1=CC=C(C=C1)N(C(C)C)C(=O)CN1C2=CC=CC=C2N(C2=CC=CC=C2)C(=O)C(CC2=NN(CC3=CC=CC=C3)C(C)=C2)C1=O
InChIKey
InChIKey=YXELWMCQUFARQL-UHFFFAOYSA-N
Formula
C39H39N5O4
Mass
641.772
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodiazepines
Alternative Parents
Alpha amino acids and derivatives Methoxyanilines Anilides Phenoxy compounds Methoxybenzenes Anisoles 1,4-diazepines Alkyl aryl ethers 1,3-dicarbonyl compounds Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Alpha-amino acid or derivatives - Anilide - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Para-diazepine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Pyrazole - Lactam - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
External Descriptors
Not available