1-[5-(3-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[5-(3-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[5-(3-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[5-(3-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[5-(3-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[3-(3-bromophenyl)-5-(3,4,5-trimethoxyphenyl)-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(=CC=C2)Br)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

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

InChI

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