Basic information
- Standard SMILES
COc1cc2c(CC(=O)N(C)Cc3ccccc3)cnc(CNC(=O)OC(C)(C)C)c2cc1OC- InChIKey
CLBSVUBVPKYUAR-UHFFFAOYSA-N- Molecular formula
- C27H33N3O5
- Average molar mass
- 479.6 g/mol
Names & identifiers
- Preferred name
- {4-[(Benzyl-methyl-carbamoyl)-methyl]-6,7-dimethoxy-isoquinolin-1-ylmethyl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[[4-[2-[benzyl(methyl)amino]-2-oxoethyl]-6,7-dimethoxyisoquinolin-1-yl]methyl]carbamate
Names & synonyms
SCHEMBL3361800CLBSVUBVPKYUAR-UHFFFAOYSA-N{4-[(benzyl-methyl-carbamoyl)-methyl]-6,7-dimethoxy-isoquinolin-1-ylmethyl}-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68613397
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 691
Related reactions
4 records
Compound notes
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