(E)-but-2-enedioic acid; ethyl 3-[4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]piperazin-1-yl]-6-fluoranyl-indazole-1-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; ethyl 3-[4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]piperazin-1-yl]-6-fluoranyl-indazole-1-carboxylate Openeye Name: ethyl 3-[4-[2-(1,3-dioxoisoindolin-2-yl)ethyl]piperazin-1-yl]-6-fluoro-indazole-1-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[4-[2-(1,3-dioxo-2-isoindolyl)ethyl]-1-piperazinyl]-6-fluoro-1-indazolecarboxylic acid ethyl ester IUPAC Name: (E)-but-2-enedioic acid; ethyl 3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazin-1-yl]-6-fluoroindazole-1-carboxylate Traditional Name: 6-fluoro-3-[4-(2-phthalimidoethyl)piperazino]indazole-1-carboxylic acid ethyl ester; fumaric acid Formula: C28H28FN5O8 MolecularWeight: 581.549023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=C(C=CC(=C2)F)C(=N1)N3CCN(CC3)CCN4C(=O)C5=CC=CC=C5C4=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)N1C2=C(C=CC(=C2)F)C(=N1)N3CCN(CC3)CCN4C(=O)C5=CC=CC=C5C4=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H24FN5O4.C4H4O4/c1-2-34-24(33)30-20-15-16(25)7-8-19(20)21(26-30)28-12-9-27(10-13-28)11-14-29-22(31)17-5-3-4-6-18(17)23(29)32;5-3(6)1-2-4(7)8/h3-8,15H,2,9-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+