Basic information
- Standard SMILES
N#CC12CCC(=O)C=C1CCCc1cc3c(cnn3-c3ccc(F)cc3)cc12- InChIKey
PUMUWNZHTCSMGY-UHFFFAOYSA-N- Molecular formula
- C23H18FN3O
- Average molar mass
- 371.4 g/mol
Names & identifiers
- Preferred name
- Rac-9-(4-fluorophenyl)-3-oxo-1,2,3,5,6,7,9,12b-octahydrobenzo[6,7]cyclohepta[1,2-f]indazole-12b-carbonitrile
- IUPAC
- 14-(4-fluorophenyl)-5-oxo-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),6,12,15,17-pentaene-2-carbonitrile
Names & synonyms
SCHEMBL15505627PUMUWNZHTCSMGY-UHFFFAOYSA-Nrac-9-(4-fluorophenyl)-3-oxo-1,2,3,5,6,7,9,12b-octahydrobenzo[6,7]cyclohepta[1,2-f]indazole-12b-carbonitrile
Database identifiers
- PubChem CID
- 86722360
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 719
Related reactions
2 records
Compound notes
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