Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C1CC(=NO1)C1=CC(OCCCOC2=C(OC)C=C3C(=C2)N=C[C@@H]2CCCN2C3=O)=C(OC)C=C1
InChIKey
InChIKey=XDMLOECUHGZVGP-UHFKCPIBSA-N
Formula
C35H39N3O9
Mass
645.709
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
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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
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Tertiary carboxylic acid amides Pyrrolidines Isoxazolines Tertiary amines Amino acids and derivatives Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Imines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Isoxazoline - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Lactam - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Amine - Imine - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - 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