methyl N-[11-(2-piperidin-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride
Basic information
- CAS
5691-55-4- Standard SMILES
COC(=O)Nc1ccc2c(c1)N(C(=O)C(C)N1CCCCC1)c1ccccc1CC2.Cl- InChIKey
ZOQSNJKEYABCOF-UHFFFAOYSA-N- Molecular formula
- C24H30ClN3O3
- Average molar mass
- 444 g/mol
- Monoisotopic mass
- 443.1975695
Names & identifiers
- Preferred name
- methyl N-[11-(2-piperidin-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride
- IUPAC
- methyl N-[11-(2-piperidin-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride
Names & synonyms
5691-55-4methyl N-[11-(2-piperidin-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochlorideAC1MEWWSCambridge id 5691554DTXSID00386412Methyl {5-[2-(piperidin-1-yl)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate--hydrogen chloride (1/1)
Database identifiers
- CAS
5691-55-4- PubChem CID
- 2862397
- DTXSID
DTXSID00386412
Properties
Computed structural properties
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 607
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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