5-(2-butyl-5-quinolin-6-yl-pyrazol-3-yl)pentanal

Systemtic Name: 5-(2-butyl-5-quinolin-6-yl-pyrazol-3-yl)pentanal Openeye Name: 5-[2-butyl-5-(6-quinolyl)pyrazol-3-yl]pentanal CAS Name: 5-[2-butyl-5-(6-quinolinyl)-3-pyrazolyl]pentanal IUPAC Name: 5-(2-butyl-5-quinolin-6-ylpyrazol-3-yl)pentanal Traditional Name: 5-[2-butyl-5-(6-quinolyl)pyrazol-3-yl]valeraldehyde Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=N1)C2=CC3=C(C=C2)N=CC=C3)CCCCC=O

Isomeric SMILES

CCCCN1C(=CC(=N1)C2=CC3=C(C=C2)N=CC=C3)CCCCC=O

InChI

InChI=1S/C21H25N3O/c1-2-3-13-24-19(9-5-4-6-14-25)16-21(23-24)18-10-11-20-17(15-18)8-7-12-22-20/h7-8,10-12,14-16H,2-6,9,13H2,1H3