Compound Identification
SMILES
COC1=CC=CC(CN[C@@H]2CCC3=C(C2)C(=NN3CC=C)C(=O)N2CC[NH+](C)CC2)=C1OC
InChIKey
InChIKey=ODIMPGAMSLTVTD-LJQANCHMSA-O
Formula
C25H36N5O3
Mass
454.594
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Methoxybenzenes
- Level 5 Dimethoxybenzenes
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Subclass
Methoxybenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Methoxybenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Dimethoxybenzenes
Alternative Parents
2-heteroaryl carboxamides Anisoles Benzylamines Pyrazole-5-carboxamides Phenylmethylamines Phenoxy compounds Alkyl aryl ethers Aralkylamines N-methylpiperazines Heteroaromatic compounds Quaternary ammonium salts Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dimethoxybenzene - O-dimethoxybenzene - 2-heteroaryl carboxamide - Phenylmethylamine - Phenoxy compound - Phenol ether - Anisole - Pyrazole-5-carboxamide - Benzylamine - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Pyrazole - Tertiary carboxylic acid amide - Quaternary ammonium salt - Azole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
External Descriptors
Not available