2,3-bis[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexyl]-5-oxidanyl-naphthalene-1,4-dione

Systemtic Name: 2,3-bis[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexyl]-5-oxidanyl-naphthalene-1,4-dione Openeye Name: 5-hydroxy-2,3-bis[6-(4-methylpiperazin-1-yl)-6-oxo-hexyl]naphthalene-1,4-dione CAS Name: 5-hydroxy-2,3-bis[6-(4-methyl-1-piperazinyl)-6-oxohexyl]naphthalene-1,4-dione IUPAC Name: 5-hydroxy-2,3-bis[6-(4-methylpiperazin-1-yl)-6-oxohexyl]naphthalene-1,4-dione Traditional Name: 5-hydroxy-2,3-bis[6-keto-6-(4-methylpiperazino)hexyl]-1,4-naphthoquinone Formula: C32H46N4O5 MolecularWeight: 566.73144

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCCCCC2=C(C(=O)C3=C(C2=O)C=CC=C3O)CCCCCC(=O)N4CCN(CC4)C

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCCCC2=C(C(=O)C3=C(C2=O)C=CC=C3O)CCCCCC(=O)N4CCN(CC4)C

InChI

InChI=1S/C32H46N4O5/c1-33-16-20-35(21-17-33)28(38)14-7-3-5-10-24-25(32(41)30-26(31(24)40)12-9-13-27(30)37)11-6-4-8-15-29(39)36-22-18-34(2)19-23-36/h9,12-13,37H,3-8,10-11,14-23H2,1-2H3