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=NOC3=CC=CC=C23)C1=O
InChIKey
InChIKey=IHTFQIMRRQEUKB-UHFFFAOYSA-N
Formula
C35H32N4O5
Mass
588.664
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 Anilides Benzisoxazoles Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes 1,4-diazepines Alkyl aryl ethers 1,3-dicarbonyl compounds Isoxazoles Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Alpha-amino acid or derivatives - Benzisoxazole - Anilide - Methoxyaniline - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Para-diazepine - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Isoxazole - Azole - Heteroaromatic compound - Lactam - Carboxamide group - Oxacycle - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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