Molecular properties
- Formula
- C20H21NO4
- Molar mass
- 339.39 g·mol−1
- Exact mass
- 339.1470 Da
- 11
- PubChem CID
- 4680
Molecule record
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
C20H21NO4
339.39 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Ether
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline
- 200-397-2
- 58-74-2
- 6,7-Dimethoxy-1-veratrylisoquinoline
- CHEBI:28241
- DAA13NKG2Q
- DTXCID603418
- DTXSID4023418
Show all 24 synonyms
- Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-
- NSC-136630
- NSC136630
- Papanerin
- Papanerine
- Papaverin
- Papaverina
- Papaverine [BAN]
- Papaverine free base
- Papaverinum
- Pavabid
- Pavacap
- Pavatym
- RefChem:56338
- Robaxapap
- papaverine
Structure identifiers
- Canonical SMILES
- COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
- Isomeric SMILES
- COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
- InChI
- InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
- InChIKey
- XQYZDYMELSJDRZ-UHFFFAOYSA-N
- PubChem CID
- 4680
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.