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

Systemtic Name: (E)-but-2-enedioic acid; 4-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazine Openeye Name: fumaric acid; 4-(1-piperidylmethyl)-3-(3-pyridyl)-1,2,4-oxadiazine CAS Name: (E)-2-butenedioic acid; 4-(1-piperidinylmethyl)-3-(3-pyridinyl)-1,2,4-oxadiazine IUPAC Name: (E)-but-2-enedioic acid; 4-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazine Traditional Name: fumaric acid; 4-(piperidinomethyl)-3-(3-pyridyl)-1,2,4-oxadiazine Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CN2C=CON=C2C3=CN=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)CN2C=CON=C2C3=CN=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H18N4O.C4H4O4/c1-2-7-17(8-3-1)12-18-9-10-19-16-14(18)13-5-4-6-15-11-13;5-3(6)1-2-4(7)8/h4-6,9-11H,1-3,7-8,12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+