1,6-bis[4-(phenylmethyl)piperazin-1-yl]hexane-1,6-dione; ethanedioic acid

Systemtic Name: 1,6-bis[4-(phenylmethyl)piperazin-1-yl]hexane-1,6-dione; ethanedioic acid Openeye Name: 1,6-bis(4-benzylpiperazin-1-yl)hexane-1,6-dione; oxalic acid CAS Name: 1,6-bis[4-(phenylmethyl)-1-piperazinyl]hexane-1,6-dione; oxalic acid IUPAC Name: 1,6-bis(4-benzylpiperazin-1-yl)hexane-1,6-dione; oxalic acid Traditional Name: 1,6-bis(4-benzylpiperazino)hexane-1,6-dione; oxalic acid Formula: C32H42N4O10 MolecularWeight: 642.69668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCCC(=O)N3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCCC(=O)N3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H38N4O2.2C2H2O4/c33-27(31-19-15-29(16-20-31)23-25-9-3-1-4-10-25)13-7-8-14-28(34)32-21-17-30(18-22-32)24-26-11-5-2-6-12-26;2*3-1(4)2(5)6/h1-6,9-12H,7-8,13-24H2;2*(H,3,4)(H,5,6)