Basic information
- Standard SMILES
CC(=O)c1ccccc1-c1cccc2c1OCCNC2.Cl- InChIKey
YKKXRYBFIAORRQ-UHFFFAOYSA-N- Molecular formula
- C17H18ClNO2
- Average molar mass
- 303.8 g/mol
- Monoisotopic mass
- 303.1026065
Names & identifiers
- Preferred name
- 1-[2-(2,3,4,5-Tetrahydro-1,4-benzoxazepine-9-yl)phenyl]ethanone hydrochloride
- IUPAC
- 1-[2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)phenyl]ethanone;hydrochloride
Names & synonyms
SCHEMBL3275745YKKXRYBFIAORRQ-UHFFFAOYSA-N1-[2-(2,3,4,5-tetrahydro-1,4-benzoxazepine-9-yl)phenyl]ethanone hydrochloride
Database identifiers
- PubChem CID
- 68577906
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 344
Related reactions
1 records
Compound notes
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