1-[3-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione

Systemtic Name: 1-[3-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione Openeye Name: 1-[3-phenyl-2-[4-(2-pyridyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione CAS Name: 1-[2-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-3-phenyl-1-pyrrolidinyl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione IUPAC Name: 1-[3-phenyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione Traditional Name: 1-[3-phenyl-2-[4-(2-pyridyl)piperazine-1-carbonyl]pyrrolidino]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione Formula: C31H34N4O6 MolecularWeight: 558.62486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)N2CCC(C2C(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)N2CCC(C2C(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C31H34N4O6/c1-39-24-19-22(20-25(40-2)29(24)41-3)28(36)31(38)35-14-12-23(21-9-5-4-6-10-21)27(35)30(37)34-17-15-33(16-18-34)26-11-7-8-13-32-26/h4-11,13,19-20,23,27H,12,14-18H2,1-3H3