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

Systemtic Name: 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonyl-2-propyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonyl-2-propyl-benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonyl-2-propylphenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonyl-2-propylbenzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[3-(2-isoxazolin-3-yl)-4-mesyl-2-propyl-benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C

Isomeric SMILES

CCCC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C

InChI

InChI=1S/C18H21N3O5S/c1-4-5-11-12(17(22)13-10-19-21(2)18(13)23)6-7-15(27(3,24)25)16(11)14-8-9-26-20-14/h6-7,10,19H,4-5,8-9H2,1-3H3