2-(4-butylphenyl)-5-pyridin-3-yl-4H-pyrazol-3-one

Systemtic Name: 2-(4-butylphenyl)-5-pyridin-3-yl-4H-pyrazol-3-one Openeye Name: 2-(4-butylphenyl)-5-(3-pyridyl)-4H-pyrazol-3-one CAS Name: 2-(4-butylphenyl)-5-(3-pyridinyl)-4H-pyrazol-3-one IUPAC Name: 2-(4-butylphenyl)-5-pyridin-3-yl-4H-pyrazol-3-one Traditional Name: 2-(4-butylphenyl)-5-(3-pyridyl)-2-pyrazolin-3-one Formula: C18H19N3O MolecularWeight: 293.36296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)CC(=N2)C3=CN=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)CC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C18H19N3O/c1-2-3-5-14-7-9-16(10-8-14)21-18(22)12-17(20-21)15-6-4-11-19-13-15/h4,6-11,13H,2-3,5,12H2,1H3