Compound Identification
SMILES
COC(=O)[C@H]1[C@H](C)CC2=C([C@H](NC3=CC=CC=C3N2)C2=CC=C(C=C2)C(C)C)C1=O
InChIKey
InChIKey=BPBWXYUJJPCQEA-LDLFBNOTSA-N
Formula
C25H28N2O3
Mass
404.51
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
Aromatic monoterpenoids Phenylpropanes Cumenes Secondary alkylarylamines 1,4-diazepines Aralkylamines Cyclohexenones 1,3-dicarbonyl compounds Vinylogous amides Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Monoterpenoid - P-cymene - Aromatic monoterpenoid - Phenylpropane - Cumene - Aralkylamine - Para-diazepine - Secondary aliphatic/aromatic amine - Cyclohexenone - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Vinylogous amide - Methyl ester - Ketone - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Enamine - Secondary amine - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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