1-(4-pyridin-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione

Systemtic Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione Openeye Name: 1-[4-(2-pyridyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione CAS Name: 1-[4-(2-pyridinyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione IUPAC Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione Traditional Name: 1-[4-(2-pyridyl)piperazino]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CC(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CC(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C21H25N3O5/c1-27-17-12-15(13-18(28-2)21(17)29-3)16(25)14-20(26)24-10-8-23(9-11-24)19-6-4-5-7-22-19/h4-7,12-13H,8-11,14H2,1-3H3