5,7-dimethoxy-8-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propyl]chromen-2-one

Systemtic Name: 5,7-dimethoxy-8-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propyl]chromen-2-one Openeye Name: 5,7-dimethoxy-8-[3-oxo-3-(4-phenylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propyl]chromen-2-one CAS Name: 5,7-dimethoxy-8-[3-oxo-3-(4-phenyl-1-piperazinyl)-1-(3,4,5-trimethoxyphenyl)propyl]-1-benzopyran-2-one IUPAC Name: 5,7-dimethoxy-8-[3-oxo-3-(4-phenylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propyl]chromen-2-one Traditional Name: 8-[3-keto-3-(4-phenylpiperazino)-1-(3,4,5-trimethoxyphenyl)propyl]-5,7-dimethoxy-coumarin Formula: C33H36N2O8 MolecularWeight: 588.64754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=C(C=C(C5=C4OC(=O)C=C5)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=C(C=C(C5=C4OC(=O)C=C5)OC)OC

InChI

InChI=1S/C33H36N2O8/c1-38-25-20-26(39-2)31(32-23(25)11-12-30(37)43-32)24(21-17-27(40-3)33(42-5)28(18-21)41-4)19-29(36)35-15-13-34(14-16-35)22-9-7-6-8-10-22/h6-12,17-18,20,24H,13-16,19H2,1-5H3