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

Systemtic Name: 1-[5-(4-bromophenyl)-3-ethyl-5-oxidanyl-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-2-pyrazolin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Formula: C21H23BrN2O4 MolecularWeight: 447.32232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23BrN2O4/c1-4-17-13-21(26,15-6-8-16(22)9-7-15)24(23-17)20(25)12-14-5-10-18(27-2)19(11-14)28-3/h5-11,26H,4,12-13H2,1-3H3