(Z)-but-2-enedioic acid; 1-[2-(4-pyridin-2-ylpiperazin-1-yl)butyl]azepane

Systemtic Name: (Z)-but-2-enedioic acid; 1-[2-(4-pyridin-2-ylpiperazin-1-yl)butyl]azepane Openeye Name: maleic acid; 1-[2-[4-(2-pyridyl)piperazin-1-yl]butyl]azepane CAS Name: (Z)-2-butenedioic acid; 1-[2-[4-(2-pyridinyl)-1-piperazinyl]butyl]azepane IUPAC Name: (Z)-but-2-enedioic acid; 1-[2-(4-pyridin-2-ylpiperazin-1-yl)butyl]azepane Traditional Name: maleic acid; 1-[2-[4-(2-pyridyl)piperazino]butyl]azepane Formula: C31H44N4O12 MolecularWeight: 664.70066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1CCCCCC1)N2CCN(CC2)C3=CC=CC=N3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(N1CCN(CC1)C2=CC=CC=N2)CN3CCCCCC3.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C19H32N4.3C4H4O4/c1-2-18(17-21-11-7-3-4-8-12-21)22-13-15-23(16-14-22)19-9-5-6-10-20-19;3*5-3(6)1-2-4(7)8/h5-6,9-10,18H,2-4,7-8,11-17H2,1H3;3*1-2H,(H,5,6)(H,7,8)/b;3*2-1-