Compound Identification
SMILES
CN1C=NC=C1C(NC(C)=O)C1=CC2=C(N=CC=C2)[C@@H](N2CCN(CC2)C(=O)NC2=CC=C(C=C2)C#N)C2=C1C=C(Cl)C=C2
InChIKey
InChIKey=AHPDIOCFSUKAHZ-JYUUXGOASA-N
Formula
C33H31ClN8O2
Mass
607.12
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzocycloheptapyridines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzocycloheptapyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzocycloheptapyridines
Alternative Parents
N-phenylureas Piperazine carboxamides Benzonitriles Aralkylamines N-alkylpiperazines Pyridines and derivatives N-substituted imidazoles Aryl chlorides Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Ureas Nitriles Azacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzocycloheptapyridine - N-phenylurea - Piperazine-1-carboxamide - Benzonitrile - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - Aryl chloride - Benzenoid - 1,4-diazinane - N-substituted imidazole - Pyridine - Piperazine - Aryl halide - Azole - Heteroaromatic compound - Acetamide - Imidazole - Amino acid or derivatives - Carboxamide group - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle.
External Descriptors
Not available