Compound Identification
SMILES
CCN(CC#C)CC1=NN=C2C(C)N=C(C3=CC=CC=C3)C3=C(C=C(C=C3)[N+]([O-])=O)N12
InChIKey
InChIKey=LPHDUCYICMOGDA-UHFFFAOYSA-N
Formula
C23H22N6O2
Mass
414.469
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
-
Class
Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-benzodiazepines
Alternative Parents
Nitroaromatic compounds Aralkylamines Benzene and substituted derivatives Triazoles Heteroaromatic compounds Trialkylamines Ketimines Propargyl-type 1,3-dipolar organic compounds Acetylides Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Nitroaromatic compound - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Ketimine - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Acetylide - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Amine - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic oxygen compound - Imine - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
External Descriptors
Not available