3-(4-Cyano-4-(3,4-dimethoxyphenyl)-5-methylhex-1-yl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinoline

HCID 129102

Basic information

Standard SMILES
COc1ccc(C(C#N)(CCCC2Cc3cc(OC)c(OC)cc3CN2C)C(C)C)cc1OC
InChIKey
AABJQPAMCMMSDZ-UHFFFAOYSA-N
Molecular formula
C28H38N2O4
Average molar mass
466.6 g/mol

Names & identifiers

Preferred name
3-(4-Cyano-4-(3,4-dimethoxyphenyl)-5-methylhex-1-yl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinoline
IUPAC
5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile

Names & synonyms

3-(4-Cyano-4-(3,4-dimethoxyphenyl)-5-methylhex-1-yl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolineRefChem:9110013-[4-(3,4-dimethoxyphenyl)-4-isopropyl-4-cyanobutyl]-6,7-dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinolineSCHEMBL10771268AABJQPAMCMMSDZ-UHFFFAOYSA-N5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile

Database identifiers

PubChem CID
129102

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
64 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
34

Related reactions

15 records

Compound notes

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