Basic information
- Standard SMILES
N#Cc1ccc(-c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)[nH]c1=O- InChIKey
YIVWDMWDIFRWEZ-UHFFFAOYSA-N- Molecular formula
- C23H22N4O
- Average molar mass
- 370.4 g/mol
Names & identifiers
- Preferred name
- 6-[p-(4-Benzyl-1-piperazinyl)phenyl]-1,2-dihydro-2-oxonicotinonitrile
- IUPAC
- 6-[4-(4-benzylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
Names & synonyms
SCHEMBL11735537YIVWDMWDIFRWEZ-UHFFFAOYSA-N6-[p-(4-benzyl-1-piperazinyl)phenyl]-1,2-dihydro-2-oxonicotinonitrile
Database identifiers
- PubChem CID
- 21404498
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 666
Related reactions
4 records
Compound notes
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