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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2(NC=CON2)C3=CN=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)CC2(NC=CON2)C3=CN=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

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