4-[(E)-[4-[(E)-(4-cyanophenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzonitrile
Basic information
- CAS
21323-14-8- Standard SMILES
N#Cc1ccc(/C=N/N2CCN(/N=C/c3ccc(C#N)cc3)CC2)cc1- InChIKey
QAVBCVHVDILAKT-DFEHQXHXSA-N- Molecular formula
- C20H18N6
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.1592946
Names & identifiers
- Preferred name
- 4-[(E)-[4-[(E)-(4-cyanophenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzonitrile
- IUPAC
- 4-[(E)-[4-[(E)-(4-cyanophenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzonitrile
Names & synonyms
NSC108573NSC-108573
Database identifiers
- CAS
21323-14-8- PubChem CID
- 9568461
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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