(E)-but-2-enedioic acid; 2-(2-methyl-4-pyridin-2-yl-piperazin-1-yl)ethanamide

Systemtic Name: (E)-but-2-enedioic acid; 2-(2-methyl-4-pyridin-2-yl-piperazin-1-yl)ethanamide Openeye Name: fumaric acid; 2-[2-methyl-4-(2-pyridyl)piperazin-1-yl]acetamide CAS Name: (E)-2-butenedioic acid; 2-[2-methyl-4-(2-pyridinyl)-1-piperazinyl]acetamide IUPAC Name: (E)-but-2-enedioic acid; 2-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)acetamide Traditional Name: fumaric acid; 2-[2-methyl-4-(2-pyridyl)piperazino]acetamide Formula: C20H26N4O9 MolecularWeight: 466.44184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(=O)N)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1N(CCN(C1)C2=CC=CC=N2)CC(=O)N.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H18N4O.2C4H4O4/c1-10-8-16(12-4-2-3-5-14-12)7-6-15(10)9-11(13)17;2*5-3(6)1-2-4(7)8/h2-5,10H,6-9H2,1H3,(H2,13,17);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+