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

Systemtic Name: 2-[[4-(6-fluoranyl-1H-indazol-3-yl)piperazin-1-yl]methyl]-5-methyl-isoindole-1,3-dione Openeye Name: 2-[[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]methyl]-5-methyl-isoindoline-1,3-dione CAS Name: 2-[[4-(6-fluoro-1H-indazol-3-yl)-1-piperazinyl]methyl]-5-methylisoindole-1,3-dione IUPAC Name: 2-[[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]methyl]-5-methylisoindole-1,3-dione Traditional Name: 2-[[4-(6-fluoro-1H-indazol-3-yl)piperazino]methyl]-5-methyl-isoindoline-1,3-quinone Formula: C21H20FN5O2 MolecularWeight: 393.414203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CN3CCN(CC3)C4=NNC5=C4C=CC(=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CN3CCN(CC3)C4=NNC5=C4C=CC(=C5)F

InChI

InChI=1S/C21H20FN5O2/c1-13-2-4-15-17(10-13)21(29)27(20(15)28)12-25-6-8-26(9-7-25)19-16-5-3-14(22)11-18(16)23-24-19/h2-5,10-11H,6-9,12H2,1H3,(H,23,24)