4-(2-isoquinolin-6-ylethynyl)benzaldehyde

Systemtic Name: 4-(2-isoquinolin-6-ylethynyl)benzaldehyde Openeye Name: 4-[2-(6-isoquinolyl)ethynyl]benzaldehyde CAS Name: 4-[2-(6-isoquinolinyl)ethynyl]benzaldehyde IUPAC Name: 4-(2-isoquinolin-6-ylethynyl)benzaldehyde Traditional Name: 4-[2-(6-isoquinolyl)ethynyl]benzaldehyde Formula: C18H11NO MolecularWeight: 257.28604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)C#CC2=CC3=C(C=C2)C=NC=C3

Isomeric SMILES

C1=CC(=CC=C1C=O)C#CC2=CC3=C(C=C2)C=NC=C3

InChI

InChI=1S/C18H11NO/c20-13-16-5-2-14(3-6-16)1-4-15-7-8-18-12-19-10-9-17(18)11-15/h2-3,5-13H