Basic information
- Standard SMILES
CC(C)C1(C#N)c2ccccc2C=CN1C(=O)c1ccccc1- InChIKey
LTJYRAQEZYXCEH-UHFFFAOYSA-N- Molecular formula
- C20H18N2O
- Average molar mass
- 302.4 g/mol
Names & identifiers
- Preferred name
- 1-Cyano-1-isopropyl-2-benzoyl-1,2-dihydroisoquinoline
- IUPAC
- 2-benzoyl-1-propan-2-ylisoquinoline-1-carbonitrile
Names & synonyms
SCHEMBL11262453LTJYRAQEZYXCEH-UHFFFAOYSA-N1-cyano-1-isopropyl-2-benzoyl-1,2-dihydroisoquinoline
Database identifiers
- PubChem CID
- 12547879
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 523
Related reactions
2 records
Compound notes
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