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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[(5S)-5-(3-methoxyphenyl)-3-methyl-5-oxidanyl-4H-pyrazol-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[(5S)-5-hydroxy-5-(3-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[(5S)-5-hydroxy-5-(3-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[(5S)-5-hydroxy-5-(3-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[(5S)-5-hydroxy-5-(3-methoxyphenyl)-3-methyl-2-pyrazolin-1-yl]propan-1-one Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-14-12-21(25,16-4-3-5-17(11-16)26-2)23(22-14)20(24)9-7-15-6-8-18-19(10-15)28-13-27-18/h3-6,8,10-11,25H,7,9,12-13H2,1-2H3/t21-/m0/s1