Basic information
- Standard SMILES
COc1cc(CCN2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)ccc1C#N- InChIKey
CXIARTHKUXDVQR-UHFFFAOYSA-N- Molecular formula
- C23H25N7O2
- Average molar mass
- 431.5 g/mol
Names & identifiers
- Preferred name
- 2-methoxy-4-[2-(4-{[4-(1H-tetrazol-1-yl)phenyl]acetyl}piperazin-1-yl)ethyl]benzonitrile
- IUPAC
- 2-methoxy-4-[2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]benzonitrile
Names & synonyms
SCHEMBL2731848CXIARTHKUXDVQR-UHFFFAOYSA-N2-methoxy-4-[2-(4-{[4-(1H-tetrazol-1-yl)phenyl]acetyl}piperazin-1-yl)ethyl]benzonitrile
Database identifiers
- PubChem CID
- 57331237
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 652
Related reactions
1 records
Compound notes
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