Basic information
- Standard SMILES
CCN1C(=O)c2ccccc2C1C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1.Cl- InChIKey
RLMHJXXYTOGQEH-UHFFFAOYSA-N- Molecular formula
- C29H36Cl3N3O2
- Average molar mass
- 565 g/mol
- Monoisotopic mass
- 563.18731
Names & identifiers
- Preferred name
- 3-[1-(3,4-Dichlorophenyl)-3-(4-(2-oxopiperidino)piperidino)propyl]-2-ethyl-2,3-dihydroisoindol-1-one hydrochloride
- IUPAC
- 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-2-ethyl-3H-isoindol-1-one;hydrochloride
Names & synonyms
SCHEMBL7501493RLMHJXXYTOGQEH-UHFFFAOYSA-N3-[1-(3,4-Dichlorophenyl)-3-(4-(2-oxopiperidino)piperidino)propyl]-2-ethyl-2,3-dihydroisoindol-1-one hydrochloride
Database identifiers
- PubChem CID
- 21839996
Properties
Computed structural properties
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 774
Related reactions
3 records
Compound notes
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