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

Systemtic Name: 5-(2-butyl-5-isoquinolin-3-yl-pyrazol-3-yl)pentanal Openeye Name: 5-[2-butyl-5-(3-isoquinolyl)pyrazol-3-yl]pentanal CAS Name: 5-[2-butyl-5-(3-isoquinolinyl)-3-pyrazolyl]pentanal IUPAC Name: 5-(2-butyl-5-isoquinolin-3-ylpyrazol-3-yl)pentanal Traditional Name: 5-[2-butyl-5-(3-isoquinolyl)pyrazol-3-yl]valeraldehyde Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=N1)C2=CC3=CC=CC=C3C=N2)CCCCC=O

Isomeric SMILES

CCCCN1C(=CC(=N1)C2=CC3=CC=CC=C3C=N2)CCCCC=O

InChI

InChI=1S/C21H25N3O/c1-2-3-12-24-19(11-5-4-8-13-25)15-21(23-24)20-14-17-9-6-7-10-18(17)16-22-20/h6-7,9-10,13-16H,2-5,8,11-12H2,1H3