3-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxy-6-oxidanyl-phenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxy-6-oxidanyl-phenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxy-phenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxy-phenyl)-1-(4-phenylpiperazino)propan-1-one Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)C(CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)C(CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C28H30N2O6/c1-33-21-15-23(31)28(26(16-21)34-2)22(19-8-9-24-25(14-19)36-18-35-24)17-27(32)30-12-10-29(11-13-30)20-6-4-3-5-7-20/h3-9,14-16,22,31H,10-13,17-18H2,1-2H3