5-(4-butoxyphenyl)-2-methyl-4H-pyrazol-3-one

Systemtic Name: 5-(4-butoxyphenyl)-2-methyl-4H-pyrazol-3-one Openeye Name: 5-(4-butoxyphenyl)-2-methyl-4H-pyrazol-3-one CAS Name: 5-(4-butoxyphenyl)-2-methyl-4H-pyrazol-3-one IUPAC Name: 5-(4-butoxyphenyl)-2-methyl-4H-pyrazol-3-one Traditional Name: 5-(4-butoxyphenyl)-2-methyl-2-pyrazolin-3-one Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN(C(=O)C2)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN(C(=O)C2)C

InChI

InChI=1S/C14H18N2O2/c1-3-4-9-18-12-7-5-11(6-8-12)13-10-14(17)16(2)15-13/h5-8H,3-4,9-10H2,1-2H3