Compound Identification
SMILES
COC1=C(NC2=NC=C3N(C)C(=O)C(F)(F)CN(C4CCCC4)C3=N2)C=CC(=C1)C(=O)NC1CC2CCC(C1)N2C
InChIKey
InChIKey=INRRBJHFKZXWEP-UHFFFAOYSA-N
Formula
C29H37F2N7O3
Mass
569.658
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrimidodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrimidodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidodiazepines
Alternative Parents
Tropane alkaloids Benzamides Methoxyanilines Anisoles Benzoyl derivatives Phenoxy compounds Dialkylarylamines Methoxybenzenes Aminopyrimidines and derivatives 1,4-diazepines Alkyl aryl ethers Piperidines N-alkylpyrrolidines Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidodiazepine - Benzamide - Benzoic acid or derivatives - Methoxyaniline - Tropane alkaloid - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Phenol ether - Para-diazepine - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Piperidine - Pyrimidine - N-alkylpyrrolidine - Tertiary carboxylic acid amide - Pyrrolidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Lactam - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidodiazepines. These are compounds containing a pyrimidoazepine moiety, which consists of a pyrimidine fused to a piperazine ring by a bond. Pyrimidine is 6-membered ring consisting of five carbon atoms and two nitrogen atoms at ring positions 1 and 3. Diazepine is a 7-membered ring consisting of five carbon atoms and two nitrogen centers.
External Descriptors
Not available