4-[2-butyl-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[2-butyl-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[2-butyl-3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonyl-benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[2-butyl-3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonylphenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[2-butyl-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[2-butyl-3-(2-isoxazolin-3-yl)-4-mesyl-benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C

Isomeric SMILES

CCCCC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C

InChI

InChI=1S/C19H23N3O5S/c1-4-5-6-12-13(18(23)14-11-20-22(2)19(14)24)7-8-16(28(3,25)26)17(12)15-9-10-27-21-15/h7-8,11,20H,4-6,9-10H2,1-3H3