Basic information
- Standard SMILES
COc1cc2c(cc1OC)C(C)N(C(=O)Cc1ccccc1[N+](=O)[O-])CC2- InChIKey
IZEWJVVRGKZVRL-UHFFFAOYSA-N- Molecular formula
- C20H22N2O5
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.15287181
Names & identifiers
- Preferred name
- N-(2-nitrophenylacetyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methylisoquinoline
- IUPAC
- 1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-nitrophenyl)ethanone
Names & synonyms
SCHEMBL10662225IZEWJVVRGKZVRL-UHFFFAOYSA-NN-(2-nitrophenylacetyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methylisoquinoline
Database identifiers
- PubChem CID
- 21295824
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 537
Related reactions
2 records
Compound notes
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