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

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione hydrate Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione hydrate CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione hydrate IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione hydrate Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione hydrate Formula: C23H30N2O7 MolecularWeight: 446.4935

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC(=O)C3=CC(=C(C(=C3)OC)OC)OC.O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC(=O)C3=CC(=C(C(=C3)OC)OC)OC.O

InChI

InChI=1S/C23H28N2O6.H2O/c1-28-18-7-5-17(6-8-18)24-9-11-25(12-10-24)22(27)15-19(26)16-13-20(29-2)23(31-4)21(14-16)30-3;/h5-8,13-14H,9-12,15H2,1-4H3;1H2