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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC(=O)N2CCCN2C(=O)C3=CC=C(C=C3)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC(=O)N2CCCN2C(=O)C3=CC=C(C=C3)Br)OC)OC

InChI

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