(E)-but-2-enedioic acid; [6-fluoranyl-3-(1-methylpiperidin-4-yl)indazol-1-yl]-phenyl-methanone

Systemtic Name: (E)-but-2-enedioic acid; [6-fluoranyl-3-(1-methylpiperidin-4-yl)indazol-1-yl]-phenyl-methanone Openeye Name: [6-fluoro-3-(1-methyl-4-piperidyl)indazol-1-yl]-phenyl-methanone; fumaric acid CAS Name: (E)-2-butenedioic acid; [6-fluoro-3-(1-methyl-4-piperidinyl)-1-indazolyl]-phenylmethanone IUPAC Name: (E)-but-2-enedioic acid; [6-fluoro-3-(1-methylpiperidin-4-yl)indazol-1-yl]-phenylmethanone Traditional Name: [6-fluoro-3-(1-methyl-4-piperidyl)indazol-1-yl]-phenyl-methanone; fumaric acid Formula: C24H24FN3O5 MolecularWeight: 453.462863

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=NN(C3=C2C=CC(=C3)F)C(=O)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)C2=NN(C3=C2C=CC(=C3)F)C(=O)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H20FN3O.C4H4O4/c1-23-11-9-14(10-12-23)19-17-8-7-16(21)13-18(17)24(22-19)20(25)15-5-3-2-4-6-15;5-3(6)1-2-4(7)8/h2-8,13-14H,9-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+