5,6-dimethoxy-2-phenyl-2-[8-[4-(phenylmethyl)piperazin-1-yl]octyl]-1,3-dihydroindene-4,7-dione

Systemtic Name: 5,6-dimethoxy-2-phenyl-2-[8-[4-(phenylmethyl)piperazin-1-yl]octyl]-1,3-dihydroindene-4,7-dione Openeye Name: 2-[8-(4-benzylpiperazin-1-yl)octyl]-5,6-dimethoxy-2-phenyl-1,3-dihydroindene-4,7-dione CAS Name: 5,6-dimethoxy-2-phenyl-2-[8-[4-(phenylmethyl)-1-piperazinyl]octyl]-1,3-dihydroindene-4,7-dione IUPAC Name: 2-[8-(4-benzylpiperazin-1-yl)octyl]-5,6-dimethoxy-2-phenyl-1,3-dihydroindene-4,7-dione Traditional Name: 2-[8-(4-benzylpiperazino)octyl]-5,6-dimethoxy-2-phenyl-1,3-dihydroindene-4,7-quinone Formula: C36H46N2O4 MolecularWeight: 570.76144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C2=C(C1=O)CC(C2)(CCCCCCCCN3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C(=O)C2=C(C1=O)CC(C2)(CCCCCCCCN3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C36H46N2O4/c1-41-34-32(39)30-25-36(29-17-11-8-12-18-29,26-31(30)33(40)35(34)42-2)19-13-5-3-4-6-14-20-37-21-23-38(24-22-37)27-28-15-9-7-10-16-28/h7-12,15-18H,3-6,13-14,19-27H2,1-2H3