ethanedioic acid; 1-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]azepane

Systemtic Name: ethanedioic acid; 1-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]azepane Openeye Name: oxalic acid; 1-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]azepane CAS Name: oxalic acid; 1-[2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]azepane IUPAC Name: oxalic acid; 1-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]azepane Traditional Name: oxalic acid; 1-[2-[4-(2-pyridyl)piperazino]ethyl]azepane Formula: C23H34N4O12 MolecularWeight: 558.53566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCN2CCN(CC2)C3=CC=CC=N3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCN2CCN(CC2)C3=CC=CC=N3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H28N4.3C2H2O4/c1-2-6-10-19(9-5-1)11-12-20-13-15-21(16-14-20)17-7-3-4-8-18-17;3*3-1(4)2(5)6/h3-4,7-8H,1-2,5-6,9-16H2;3*(H,3,4)(H,5,6)