Basic information
- Standard SMILES
CC(=O)N(C)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCCN(C(=O)c3ccccc3)C2)CC1.Cl- InChIKey
JYHMEQMBBOMISI-UHFFFAOYSA-N- Molecular formula
- C36H44Cl3N3O2
- Average molar mass
- 657.1 g/mol
Names & identifiers
- Preferred name
- 3-[3-[4-(Acetyl-N-methylamino)-4-phenylpiperid-1-yl]propyl]-1-benzoyl-3-(3,4-dichlorophenyl)perhydroazepine hydrochloride
- IUPAC
- N-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)azepan-3-yl]propyl]-4-phenylpiperidin-4-yl]-N-methylacetamide;hydrochloride
Names & synonyms
SCHEMBL6543864JYHMEQMBBOMISI-UHFFFAOYSA-N3-[3-[4-(Acetyl-N-methylamino)-4-phenylpiperid-1-yl]propyl]-1-benzoyl-3-(3,4-dichlorophenyl)perhydroazepine hydrochloride
Database identifiers
- PubChem CID
- 22741746
Properties
Computed structural properties
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 912
Related reactions
3 records
Linked notes
Loading…