3-(2-butyl-5-isoquinolin-3-yl-pyrazol-3-yl)benzaldehyde

Systemtic Name: 3-(2-butyl-5-isoquinolin-3-yl-pyrazol-3-yl)benzaldehyde Openeye Name: 3-[2-butyl-5-(3-isoquinolyl)pyrazol-3-yl]benzaldehyde CAS Name: 3-[2-butyl-5-(3-isoquinolinyl)-3-pyrazolyl]benzaldehyde IUPAC Name: 3-(2-butyl-5-isoquinolin-3-ylpyrazol-3-yl)benzaldehyde Traditional Name: 3-[2-butyl-5-(3-isoquinolyl)pyrazol-3-yl]benzaldehyde Formula: C23H21N3O MolecularWeight: 355.43234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=N1)C2=CC3=CC=CC=C3C=N2)C4=CC(=CC=C4)C=O

Isomeric SMILES

CCCCN1C(=CC(=N1)C2=CC3=CC=CC=C3C=N2)C4=CC(=CC=C4)C=O

InChI

InChI=1S/C23H21N3O/c1-2-3-11-26-23(19-10-6-7-17(12-19)16-27)14-22(25-26)21-13-18-8-4-5-9-20(18)15-24-21/h4-10,12-16H,2-3,11H2,1H3