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Basic information
- Standard SMILES
CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCC(=O)O)nccc34)no2)cc1C#N.Cl- InChIKey
CMSWRVQZHHTBNJ-UHFFFAOYSA-N- Molecular formula
- C24H21ClN4O4
- Average molar mass
- 464.9 g/mol
- Monoisotopic mass
- 464.1251329
Names & identifiers
- Preferred name
- 3-[5-(5-{3-Cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-isoquinolinyl]propanoic acid hydrochloride
- IUPAC
- 3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]isoquinolin-1-yl]propanoic acid;hydrochloride
Names & synonyms
SCHEMBL1015593CMSWRVQZHHTBNJ-UHFFFAOYSA-N3-[5-(5-{3-Cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-isoquinolinyl]propanoic acid hydrochloride
Database identifiers
- PubChem CID
- 66877366
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 695
Related reactions
1 records
Compound notes
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