(E)-but-2-enedioic acid; 1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indazole

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indazole Openeye Name: 1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(4-fluorophenyl)-3-(4-methyl-1-piperazinyl)indazole IUPAC Name: (E)-but-2-enedioic acid; 1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indazole Traditional Name: 1-(4-fluorophenyl)-3-(4-methylpiperazino)indazole; fumaric acid Formula: C22H23FN4O4 MolecularWeight: 426.440823

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NN(C3=CC=CC=C32)C4=CC=C(C=C4)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NN(C3=CC=CC=C32)C4=CC=C(C=C4)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H19FN4.C4H4O4/c1-21-10-12-22(13-11-21)18-16-4-2-3-5-17(16)23(20-18)15-8-6-14(19)7-9-15;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+