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

Systemtic Name: (E)-but-2-enedioic acid; N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenyl-piperazine-1-carboxamide Openeye Name: fumaric acid; N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenyl-piperazine-1-carboxamide CAS Name: (E)-2-butenedioic acid; N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-4-phenyl-1-piperazinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide Traditional Name: fumaric acid; N-[4-methoxy-3-(4-methylpiperazino)phenyl]-4-phenyl-piperazine-1-carboxamide Formula: C27H35N5O6 MolecularWeight: 525.5967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O2.C4H4O4/c1-25-10-12-27(13-11-25)21-18-19(8-9-22(21)30-2)24-23(29)28-16-14-26(15-17-28)20-6-4-3-5-7-20;5-3(6)1-2-4(7)8/h3-9,18H,10-17H2,1-2H3,(H,24,29);1-2H,(H,5,6)(H,7,8)/b;2-1+