3-[3-[4-(Acetyl-N-methylamino)-4-phenylpiperid-1-yl]propyl]-1-benzoyl-3-(3,4-dichlorophenyl)perhydroazepine hydrochloride

HCID 22741746

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

Related reactions

3 records

Linked notes

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