3-(1,3-benzodioxol-5-yl)-1-[(5S)-3-methyl-5-oxidanyl-5-phenyl-4H-pyrazol-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[(5S)-3-methyl-5-oxidanyl-5-phenyl-4H-pyrazol-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[(5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[(5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[(5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[(5S)-5-hydroxy-3-methyl-5-phenyl-2-pyrazolin-1-yl]propan-1-one Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NN([C@](C1)(C2=CC=CC=C2)O)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O4/c1-14-12-20(24,16-5-3-2-4-6-16)22(21-14)19(23)10-8-15-7-9-17-18(11-15)26-13-25-17/h2-7,9,11,24H,8,10,12-13H2,1H3/t20-/m0/s1