1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione hydrate

Systemtic Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione hydrate Openeye Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione hydrate CAS Name: 1-[4-(2-chlorophenyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione hydrate IUPAC Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione hydrate Traditional Name: 1-[4-(2-chlorophenyl)piperazino]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione hydrate Formula: C22H27ClN2O6 MolecularWeight: 450.91258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CC(=O)N2CCN(CC2)C3=CC=CC=C3Cl.O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CC(=O)N2CCN(CC2)C3=CC=CC=C3Cl.O

InChI

InChI=1S/C22H25ClN2O5.H2O/c1-28-19-12-15(13-20(29-2)22(19)30-3)18(26)14-21(27)25-10-8-24(9-11-25)17-7-5-4-6-16(17)23;/h4-7,12-13H,8-11,14H2,1-3H3;1H2