1-[(3R)-5-(4-bromophenyl)-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 1-[(3R)-5-(4-bromophenyl)-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3R)-5-(4-bromophenyl)-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3R)-5-(4-bromophenyl)-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3R)-5-(4-bromophenyl)-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5R)-3-(4-bromophenyl)-5-(2,4-dimethoxyphenyl)-2-pyrazolin-1-yl]propan-1-one Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O3/c1-4-20(24)23-18(16-10-9-15(25-2)11-19(16)26-3)12-17(22-23)13-5-7-14(21)8-6-13/h5-11,18H,4,12H2,1-3H3/t18-/m1/s1