Basic information
- Standard SMILES
O=C1NCC2=C(CCN(Cc3ccccc3)C2)c2ccccc21- InChIKey
QPABXALXKKPHPB-UHFFFAOYSA-N- Molecular formula
- C20H20N2O
- Average molar mass
- 304.4 g/mol
Names & identifiers
- Preferred name
- 3-Benzyl-1,2,3,4,5,6-hexahydro-7h-pyrido[3,4-d][2]benzazepin-7-one
- IUPAC
- 3-benzyl-2,4,5,6-tetrahydro-1H-pyrido[3,4-d][2]benzazepin-7-one
Names & synonyms
SCHEMBL2014948QPABXALXKKPHPB-UHFFFAOYSA-N3-benzyl-1,2,3,4,5,6-hexahydro-7h-pyrido[3,4-d][2]benzazepin-7-one
Database identifiers
- PubChem CID
- 59548522
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 478
Related reactions
3 records
Compound notes
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