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

Systemtic Name: 2-(4-butoxyphenyl)-5-pyridin-3-yl-4H-pyrazol-3-one Openeye Name: 2-(4-butoxyphenyl)-5-(3-pyridyl)-4H-pyrazol-3-one CAS Name: 2-(4-butoxyphenyl)-5-(3-pyridinyl)-4H-pyrazol-3-one IUPAC Name: 2-(4-butoxyphenyl)-5-pyridin-3-yl-4H-pyrazol-3-one Traditional Name: 2-(4-butoxyphenyl)-5-(3-pyridyl)-2-pyrazolin-3-one Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=O)CC(=N2)C3=CN=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=O)CC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C18H19N3O2/c1-2-3-11-23-16-8-6-15(7-9-16)21-18(22)12-17(20-21)14-5-4-10-19-13-14/h4-10,13H,2-3,11-12H2,1H3