1-[(5S)-5-(4-bromophenyl)-3-methyl-5-oxidanyl-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 1-[(5S)-5-(4-bromophenyl)-3-methyl-5-oxidanyl-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-[(5S)-5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-[(5S)-5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-[(5S)-5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-[(5S)-5-(4-bromophenyl)-5-hydroxy-3-methyl-2-pyrazolin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=NN([C@](C1)(C2=CC=C(C=C2)Br)O)C(=O)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H21BrN2O4/c1-13-12-20(25,15-5-7-16(21)8-6-15)23(22-13)19(24)11-14-4-9-17(26-2)18(10-14)27-3/h4-10,25H,11-12H2,1-3H3/t20-/m0/s1