Basic information
- Standard SMILES
COc1cc2c(CC(=O)N3CCC(Cc4ccccc4)CC3)cnc(CNC(=O)OC(C)(C)C)c2cc1OC- InChIKey
SVZVRRNOVXDHRF-UHFFFAOYSA-N- Molecular formula
- C31H39N3O5
- Average molar mass
- 533.7 g/mol
Names & identifiers
- Preferred name
- {4-[2-(4-Benzyl-piperidin-1-yl)-2-oxo-ethyl]-6,7-dimethoxy-isoquinolin-1-ylmethyl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethoxyisoquinolin-1-yl]methyl]carbamate
Names & synonyms
SCHEMBL3360363SVZVRRNOVXDHRF-UHFFFAOYSA-N{-4-[2-(4-benzyl-piperidin-1-yl)-2-oxo-ethyl]-6,7-dimethoxy-isoquinolin-1-ylmethyl}-carbamic acid tert-butyl ester{4-[2-(4-benzyl-piperidin-1-yl)-2-oxo-ethyl]-6,7-dimethoxy-isoquinolin-1-ylmethyl}-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68612809
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 788
Related reactions
4 records
Compound notes
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