Basic information
- Standard SMILES
Cl.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)cc31)CCNCC2- InChIKey
BCQOEVWHEZKPCP-UHFFFAOYSA-N- Molecular formula
- C25H24ClF2N3O2
- Average molar mass
- 471.9 g/mol
- Monoisotopic mass
- 471.152511
Names & identifiers
- Preferred name
- 4-(2,4-Difluorobenzyloxy)-1-(6-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-8-yl)pyridin-2(1H)-one hydrochloride
- IUPAC
- 4-[(2,4-difluorophenyl)methoxy]-1-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one;hydrochloride
Names & synonyms
SCHEMBL1004713BCQOEVWHEZKPCP-UHFFFAOYSA-N4-(2,4-Difluorobenzyloxy)-1-(6-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-8-yl)pyridin-2(1H)-one hydrochloride
Database identifiers
- PubChem CID
- 66873707
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 759
Related reactions
1 records
Compound notes
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