Basic information
- Standard SMILES
Cl.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)CNCCC2- InChIKey
LPMIUEHLMRRNBA-UHFFFAOYSA-N- Molecular formula
- C24H23Cl2FN4O2
- Average molar mass
- 489.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-Chloro-2-fluorobenzyloxy)-1-(10-methyl-5,6,7,8,9,10-hexahydropyrido[3',2':4,5]pyrrolo[3,2-c]azepin-2-yl)pyridin-2(1H)-one hydrochloride
- IUPAC
- 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride
Names & synonyms
SCHEMBL1003912LPMIUEHLMRRNBA-UHFFFAOYSA-N4-(4-Chloro-2-fluorobenzyloxy)-1-(10-methyl-5,6,7,8,9,10-hexahydropyrido[3',2':4,5]pyrrolo[3,2-c]azepin-2-yl)pyridin-2(1H)-one hydrochloride
Database identifiers
- PubChem CID
- 66873408
Properties
Computed structural properties
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 764
Related reactions
1 records
Compound notes
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