(E)-but-2-enedioic acid; 4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine

Systemtic Name: (E)-but-2-enedioic acid; 4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine Openeye Name: 4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenyl-1-piperazinyl)propoxy]pyrimidine IUPAC Name: (E)-but-2-enedioic acid; 4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine Traditional Name: 4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperazino)propoxy]pyrimidine; fumaric acid Formula: C28H31FN4O5 MolecularWeight: 522.567943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)OCCCN2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=CC(=N1)OCCCN2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H27FN4O.C4H4O4/c1-19-26-23(20-8-10-21(25)11-9-20)18-24(27-19)30-17-5-12-28-13-15-29(16-14-28)22-6-3-2-4-7-22;5-3(6)1-2-4(7)8/h2-4,6-11,18H,5,12-17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+