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ethanedioic acid; 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]azepane

ethanedioic acid; 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]azepane

Systemtic Name:ethanedioic acid; 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]azepane
Openeye Name:oxalic acid; 1-[3-[4-(2-pyridyl)piperazin-1-yl]propyl]azepane
CAS Name:oxalic acid; 1-[3-[4-(2-pyridinyl)-1-piperazinyl]propyl]azepane
IUPAC Name:oxalic acid; 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]azepane
Traditional Name:oxalic acid; 1-[3-[4-(2-pyridyl)piperazino]propyl]azepane
Formula: C20H32N4O4
MolecularWeight: 392.49248
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCN2CCN(CC2)C3=CC=CC=N3.C(=O)(C(=O)O)O


Isomeric SMILES

C1CCCN(CC1)CCCN2CCN(CC2)C3=CC=CC=N3.C(=O)(C(=O)O)O


InChI

InChI=1S/C18H30N4.C2H2O4/c1-2-6-11-20(10-5-1)12-7-13-21-14-16-22(17-15-21)18-8-3-4-9-19-18;3-1(4)2(5)6/h3-4,8-9H,1-2,5-7,10-17H2;(H,3,4)(H,5,6)


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