Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl-
Basic information
- CAS
7574-71-2- Standard SMILES
CC(=O)N1Cc2cccc3c2C(C1)c1ccccc1CC3- InChIKey
ASMHUZPYLFZHEZ-UHFFFAOYSA-N- Molecular formula
- C19H19NO
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.14666423
Names & identifiers
- Preferred name
- Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl-
- IUPAC
- 1-(16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-16-yl)ethanone
Names & synonyms
BRN 13511642-Acetyl-1,2,3,7,8,12b-hexahydrobenzo(6,7)cyclohept(1,2,3-de)isoquinoline7574-71-2Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl-RefChem:326034DTXSID109971341-(3,7,8,12b-Tetrahydrobenzo[6,7]cyclohepta[1,2,3-de]isoquinolin-2(1H)-yl)ethan-1-one
Database identifiers
- CAS
7574-71-2- PubChem CID
- 202157
- DTXSID
DTXSID10997134
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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