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

Systemtic Name: (E)-but-2-enedioic acid; N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-naphthalen-1-yl-piperazine-1-carboxamide Openeye Name: fumaric acid; N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(1-naphthyl)piperazine-1-carboxamide CAS Name: (E)-2-butenedioic acid; N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-4-(1-naphthalenyl)-1-piperazinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-naphthalen-1-ylpiperazine-1-carboxamide Traditional Name: fumaric acid; N-[4-methoxy-3-(4-methylpiperazino)phenyl]-4-(1-naphthyl)piperazine-1-carboxamide Formula: C31H37N5O6 MolecularWeight: 575.65538

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCN(CC3)C4=CC=CC5=CC=CC=C54)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCN(CC3)C4=CC=CC5=CC=CC=C54)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C27H33N5O2.C4H4O4/c1-29-12-14-31(15-13-29)25-20-22(10-11-26(25)34-2)28-27(33)32-18-16-30(17-19-32)24-9-5-7-21-6-3-4-8-23(21)24;5-3(6)1-2-4(7)8/h3-11,20H,12-19H2,1-2H3,(H,28,33);1-2H,(H,5,6)(H,7,8)/b;2-1+