Compound Identification
SMILES
C[C@H]1CN(C)CCC2=C1C=C(NC1=NC=C(Cl)C(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)=N1)C=C2
InChIKey
InChIKey=PYYVZOAOTZMECL-HASBYKGMSA-N
Formula
C24H29ClN6O
Mass
452.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzazepines
Alternative Parents
Beta amino acids and derivatives Aminopyrimidines and derivatives Aralkylamines Azepines Halopyrimidines Benzenoids Aryl chlorides Imidolactams Heteroaromatic compounds Trialkylamines Primary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - Beta amino acid or derivatives - Aminopyrimidine - Azepine - Halopyrimidine - Aralkylamine - Aryl chloride - Aryl halide - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Primary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
External Descriptors
Not available