2-[2-[4-fluoranyl-2-(2H-indazol-3-yl)piperazin-1-yl]ethyl]-4-methyl-isoindole-1,3-dione

Systemtic Name: 2-[2-[4-fluoranyl-2-(2H-indazol-3-yl)piperazin-1-yl]ethyl]-4-methyl-isoindole-1,3-dione Openeye Name: 2-[2-[4-fluoro-2-(2H-indazol-3-yl)piperazin-1-yl]ethyl]-4-methyl-isoindoline-1,3-dione CAS Name: 2-[2-[4-fluoro-2-(2H-indazol-3-yl)-1-piperazinyl]ethyl]-4-methylisoindole-1,3-dione IUPAC Name: 2-[2-[4-fluoro-2-(2H-indazol-3-yl)piperazin-1-yl]ethyl]-4-methylisoindole-1,3-dione Traditional Name: 2-[2-[4-fluoro-2-(2H-indazol-3-yl)piperazino]ethyl]-4-methyl-isoindoline-1,3-quinone Formula: C22H22FN5O2 MolecularWeight: 407.440783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)N(C2=O)CCN3CCN(CC3C4=C5C=CC=CC5=NN4)F

Isomeric SMILES

CC1=CC=CC2=C1C(=O)N(C2=O)CCN3CCN(CC3C4=C5C=CC=CC5=NN4)F

InChI

InChI=1S/C22H22FN5O2/c1-14-5-4-7-16-19(14)22(30)28(21(16)29)12-10-26-9-11-27(23)13-18(26)20-15-6-2-3-8-17(15)24-25-20/h2-8,18H,9-13H2,1H3,(H,24,25)