1-[(3R)-3-(3-bromanyl-4,5-dimethoxy-phenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[(3R)-3-(3-bromanyl-4,5-dimethoxy-phenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3R)-3-(3-bromo-4,5-dimethoxy-phenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3R)-3-(3-bromo-4,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3R)-3-(3-bromo-4,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5R)-5-(3-bromo-4,5-dimethoxy-phenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]ethanone Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CC(=C(C(=C3)Br)OC)OC

Isomeric SMILES

CC(=O)N1[C@H](CC(=N1)C2=CC=C(C=C2)OC)C3=CC(=C(C(=C3)Br)OC)OC

InChI

InChI=1S/C20H21BrN2O4/c1-12(24)23-18(14-9-16(21)20(27-4)19(10-14)26-3)11-17(22-23)13-5-7-15(25-2)8-6-13/h5-10,18H,11H2,1-4H3/t18-/m1/s1