Compound Identification
SMILES
CN1NC=C2CN(C(=O)C3=CC(C)=C(CNC(=O)N4CCN(CC5=CC=CC=C5C5=CSN=N5)CC4)C=C3)C3=CC=CC=C3N=C12
InChIKey
InChIKey=CAABQHAWAIIWQZ-UHFFFAOYSA-N
Formula
C34H35N9O2S
Mass
633.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodiazepines
Alternative Parents
m-Toluamides Benzamides Piperazine carboxamides Benzoyl derivatives Benzylamines Phenylmethylamines 1,4-diazepines Aralkylamines N-alkylpiperazines Imidolactams Heteroaromatic compounds Pyrazolines Tertiary carboxylic acid amides Thiadiazoles Ureas Trialkylamines Amino acids and derivatives Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Benzamide - M-toluamide - Toluamide - Benzoic acid or derivatives - Piperazine-1-carboxamide - Benzoyl - Benzylamine - Phenylmethylamine - Para-diazepine - Aralkylamine - Toluene - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Imidolactam - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Pyrazoline - Thiadiazole - Azole - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Urea - Carboxylic acid amidrazone - Tertiary aliphatic amine - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amidine - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
External Descriptors
Not available