Compound Identification
SMILES
COC1=C(OC)C(Cl)=C(C[NH+]2CCN3C(CCNC(=O)[C@@H]4CCCO4)=NN=C3CC2)C=C1
InChIKey
InChIKey=ASRSEFAMCKLRMH-KRWDZBQOSA-O
Formula
C22H31ClN5O4
Mass
464.97
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
Dimethoxybenzenes Anisoles Benzylamines Phenoxy compounds Phenylmethylamines 1,4-diazepines Aralkylamines Alkyl aryl ethers Chlorobenzenes Aryl chlorides Oxolanes Quaternary ammonium salts Heteroaromatic compounds Triazoles Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organochlorides Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolo-para-diazepine - Dimethoxybenzene - O-dimethoxybenzene - Phenylmethylamine - Phenoxy compound - Phenol ether - Anisole - Benzylamine - Methoxybenzene - Para-diazepine - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aralkylamine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azole - 1,2,4-triazole - Oxolane - Quaternary ammonium salt - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Oxacycle - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Carbonyl group - Amine - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - 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