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

Systemtic Name: 1-[2-(4-bromophenyl)carbonylpyrazolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 1-[2-(4-bromobenzoyl)pyrazolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 1-[2-[(4-bromophenyl)-oxomethyl]-1-pyrazolidinyl]-2-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 1-[2-(4-bromobenzoyl)pyrazolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 1-[2-(4-bromobenzoyl)pyrazolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCCN2C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCCN2C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O5/c1-27-17-11-14(12-18(28-2)20(17)29-3)13-19(25)23-9-4-10-24(23)21(26)15-5-7-16(22)8-6-15/h5-8,11-12H,4,9-10,13H2,1-3H3