Basic information
- CAS
169104-86-3- Standard SMILES
Cl.O=C1CCC(c2ccccc2)(c2ccccc2)C2CNCC12- InChIKey
CIJLMNDNUOEELM-UHFFFAOYSA-N- Molecular formula
- C20H22ClNO
- Average molar mass
- 327.8 g/mol
Names & identifiers
- Preferred name
- 7,7-Diphenylhexahydro-1H-isoindol-4(2H)-one hydrochloride
- IUPAC
- 7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindol-4-one;hydrochloride
- English name
- 7,7-Diphenyl-octahydro-isoindol-4-one hydrochloride
- Molecular formula
- C20H22ClNO
- Molecular weight
- 327.85
Names & synonyms
169104-86-37,7-Diphenylhexahydro-1H-isoindol-4(2H)-one hydrochloride7,7-diphenyl-octahydro-1H-isoindol-4-one hydrochlorideCIJLMNDNUOEELM-UHFFFAOYSA-NSCHEMBL78830307,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindol-4-one;hydrochloride7,7-diphenyl-4-perhydroisoindolone hydrochloride7,7-diphenylperhydro-4-isoindolone hydrochloride7,7-diphenyl-perhydroisoindol-4-one hydrochloride7,7-Diphenylhexahydro-1H-isoindol-4(2H)-onehydrochloride(3aRS, 7aRS)-7,7-diphenyl-4-perhydroisoindolone hydrochloride(3aRS,7aRS)-7,7-diphenyl-4-perhydroiso-indolone hydrochloride
Show more names
7,7-Diphenyl-octahydro-isoindol-4-one hydrochloride
(3aRS,7aRS)-7,7-diphenyl-4-perhydroisoindolone hydrochloride(3aRS,7aRS)-7,7-diphenyl-perhydroisoindol-4-one hydrochloride(3aRS,7aRS)-7,7-Diphenylperhydro-4-isoindolone hydrochloride(3aRS,7aRS)-7,7-diphenylperhydroisoindol-4-one hydrochloride
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 388
Chemistry & industry
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…