Basic information
- CAS
96401-80-8- Standard SMILES
Cc1cc2c(cc1C)C(=O)C(CN1CCN(C)CC1)CCO2.Cl.Cl- InChIKey
OAMAHFVWQCCIQX-UHFFFAOYSA-N- Molecular formula
- C18H28Cl2N2O2
- Average molar mass
- 375.3 g/mol
- Monoisotopic mass
- 374.1527835
Names & identifiers
- Preferred name
- 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-((4-methyl-1-piperazinyl)methyl)-, dihydrochloride
- IUPAC
- 7,8-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one;dihydrochloride
Names & synonyms
96401-80-81-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-((4-methyl-1-piperazinyl)methyl)-, dihydrochloride3,4-Dihydro-7,8-dimethyl-4-((4-methyl-1-piperazinyl)methyl)-1-benzoxepin-5(2H)-one 2HClRefChem:227830DTXSID009145327,8-Dimethyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1-benzoxepin-5(2H)-one--hydrogen chloride (1/2)
Database identifiers
- CAS
96401-80-8- PubChem CID
- 57079
- DTXSID
DTXSID00914532
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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