5-(4-pentoxyphenyl)carbonyl-1,2-dihydropyrazol-3-one

Systemtic Name: 5-(4-pentoxyphenyl)carbonyl-1,2-dihydropyrazol-3-one Openeye Name: 5-(4-pentoxybenzoyl)-1,2-dihydropyrazol-3-one CAS Name: 5-[oxo-(4-pentoxyphenyl)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-(4-pentoxybenzoyl)-1,2-dihydropyrazol-3-one Traditional Name: 5-(4-amoxybenzoyl)-3-pyrazolin-3-one Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)C2=CC(=O)NN2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)C2=CC(=O)NN2

InChI

InChI=1S/C15H18N2O3/c1-2-3-4-9-20-12-7-5-11(6-8-12)15(19)13-10-14(18)17-16-13/h5-8,10H,2-4,9H2,1H3,(H2,16,17,18)