(E)-but-2-enedioic acid; N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-4-yl-piperazine-1-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-4-yl-piperazine-1-carboxamide Openeye Name: fumaric acid; N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-pyridyl)piperazine-1-carboxamide CAS Name: (E)-2-butenedioic acid; N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-4-pyridin-4-yl-1-piperazinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide Traditional Name: fumaric acid; N-[4-methoxy-3-(4-methylpiperazino)phenyl]-4-(4-pyridyl)piperazine-1-carboxamide Formula: C26H34N6O6 MolecularWeight: 526.58476

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCN(CC3)C4=CC=NC=C4)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCN(CC3)C4=CC=NC=C4)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H30N6O2.C4H4O4/c1-25-9-11-27(12-10-25)20-17-18(3-4-21(20)30-2)24-22(29)28-15-13-26(14-16-28)19-5-7-23-8-6-19;5-3(6)1-2-4(7)8/h3-8,17H,9-16H2,1-2H3,(H,24,29);1-2H,(H,5,6)(H,7,8)/b;2-1+