Compound Identification
SMILES
CC1=CC=C(COC2=NC3=CC=CC=C3C(N3CCN(CC3)C(=O)C3=CC=CS3)=C2C#N)C=C1
InChIKey
InChIKey=MMHKBTVHSYKAPQ-UHFFFAOYSA-N
Formula
C27H24N4O2S
Mass
468.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazinanes
-
Subclass
Piperazines
- Level 5 Pyridinylpiperazines
-
Subclass
Piperazines
-
Class
Diazinanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinylpiperazines
Alternative Parents
N-arylpiperazines Quinolones and derivatives 4-aminoquinolines Thiophene carboxamides 2-heteroaryl carboxamides Dialkylarylamines Toluenes Alkyl aryl ethers Aminopyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridinylpiperazine - N-arylpiperazine - 4-aminoquinoline - Aminoquinoline - Quinolone - Quinoline - 2-heteroaryl carboxamide - Tertiary aliphatic/aromatic amine - Thiophene carboxamide - Dialkylarylamine - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Aminopyridine - Toluene - Monocyclic benzene moiety - Pyridine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiophene - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
External Descriptors
Not available