5-[2-[2-(6-fluoranyl-2H-indazol-3-yl)piperazin-1-yl]ethyl]-4-methyl-isoindole-1,3-dione

Systemtic Name: 5-[2-[2-(6-fluoranyl-2H-indazol-3-yl)piperazin-1-yl]ethyl]-4-methyl-isoindole-1,3-dione Openeye Name: 5-[2-[2-(6-fluoro-2H-indazol-3-yl)piperazin-1-yl]ethyl]-4-methyl-isoindoline-1,3-dione CAS Name: 5-[2-[2-(6-fluoro-2H-indazol-3-yl)-1-piperazinyl]ethyl]-4-methylisoindole-1,3-dione IUPAC Name: 5-[2-[2-(6-fluoro-2H-indazol-3-yl)piperazin-1-yl]ethyl]-4-methylisoindole-1,3-dione Traditional Name: 5-[2-[2-(6-fluoro-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=C(C=CC2=C1C(=O)NC2=O)CCN3CCNCC3C4=C5C=CC(=CC5=NN4)F

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)NC2=O)CCN3CCNCC3C4=C5C=CC(=CC5=NN4)F

InChI

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