(E)-but-2-enedioic acid; 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine

Systemtic Name: (E)-but-2-enedioic acid; 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine Openeye Name: fumaric acid; 5-(1-piperidylmethyl)-3-(3-pyridyl)-5,6-dihydro-2H-1,2,4-oxadiazine CAS Name: (E)-2-butenedioic acid; 5-(1-piperidinylmethyl)-3-(3-pyridinyl)-5,6-dihydro-2H-1,2,4-oxadiazine IUPAC Name: (E)-but-2-enedioic acid; 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine Traditional Name: fumaric acid; 5-(piperidinomethyl)-3-(3-pyridyl)-5,6-dihydro-2H-1,2,4-oxadiazine Formula: C18H24N4O5 MolecularWeight: 376.40696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2CONC(=N2)C3=CN=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)CC2CONC(=N2)C3=CN=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H20N4O.C4H4O4/c1-2-7-18(8-3-1)10-13-11-19-17-14(16-13)12-5-4-6-15-9-12;5-3(6)1-2-4(7)8/h4-6,9,13H,1-3,7-8,10-11H2,(H,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1+