Compound Identification
SMILES
COC1=CC(C[NH+]2CCN3C(CC2)=NN=C3[C@@H](CC(C)C)NC(=O)C2=CN=CC=C2)=C(O)C=C1
InChIKey
InChIKey=VXLWCSBGZLYENO-OAQYLSRUSA-O
Formula
C25H33N6O3
Mass
465.577
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolodiazepines
Alternative Parents
Methoxyphenols 4-alkoxyphenols Nicotinamides Anisoles Benzylamines Methoxybenzenes Phenoxy compounds Phenylmethylamines 1-hydroxy-2-unsubstituted benzenoids Aralkylamines 1,4-diazepines Alkyl aryl ethers Triazoles Heteroaromatic compounds Quaternary ammonium salts Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Methoxyphenol - Triazolo-para-diazepine - 4-alkoxyphenol - Nicotinamide - Pyridine carboxylic acid or derivatives - Phenoxy compound - Anisole - Benzylamine - Methoxybenzene - Phenol ether - Phenylmethylamine - Para-diazepine - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aralkylamine - Phenol - Monocyclic benzene moiety - Benzenoid - Pyridine - 1,2,4-triazole - Quaternary ammonium salt - Azole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triazolodiazepines. These are heterocyclic aromatic compounds containing a triazole ring fused to a diazepine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.
External Descriptors
Not available