4-oxidanyl-3-propan-2-yl-3-[1-(1H-pyrazol-4-yl)ethenyl]oxan-2-one

Systemtic Name: 4-oxidanyl-3-propan-2-yl-3-[1-(1H-pyrazol-4-yl)ethenyl]oxan-2-one Openeye Name: 4-hydroxy-3-isopropyl-3-[1-(1H-pyrazol-4-yl)vinyl]tetrahydropyran-2-one CAS Name: 4-hydroxy-3-propan-2-yl-3-[1-(1H-pyrazol-4-yl)ethenyl]-2-oxanone IUPAC Name: 4-hydroxy-3-propan-2-yl-3-[1-(1H-pyrazol-4-yl)ethenyl]oxan-2-one Traditional Name: 4-hydroxy-3-isopropyl-3-[1-(1H-pyrazol-4-yl)vinyl]tetrahydropyran-2-one Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(CCOC1=O)O)C(=C)C2=CNN=C2

Isomeric SMILES

CC(C)C1(C(CCOC1=O)O)C(=C)C2=CNN=C2

InChI

InChI=1S/C13H18N2O3/c1-8(2)13(9(3)10-6-14-15-7-10)11(16)4-5-18-12(13)17/h6-8,11,16H,3-5H2,1-2H3,(H,14,15)