6-fluoranyl-7a-[2-[4-(1H-indazol-3-yl)piperazin-1-yl]ethyl]-3aH-isoindole-1,3-dione

Systemtic Name: 6-fluoranyl-7a-[2-[4-(1H-indazol-3-yl)piperazin-1-yl]ethyl]-3aH-isoindole-1,3-dione Openeye Name: 6-fluoro-7a-[2-[4-(1H-indazol-3-yl)piperazin-1-yl]ethyl]-3aH-isoindole-1,3-dione CAS Name: 6-fluoro-7a-[2-[4-(1H-indazol-3-yl)-1-piperazinyl]ethyl]-3aH-isoindole-1,3-dione IUPAC Name: 6-fluoro-7a-[2-[4-(1H-indazol-3-yl)piperazin-1-yl]ethyl]-3aH-isoindole-1,3-dione Traditional Name: 6-fluoro-7a-[2-[4-(1H-indazol-3-yl)piperazino]ethyl]-3aH-isoindole-1,3-quinone Formula: C21H22FN5O2 MolecularWeight: 395.430083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC23C=C(C=CC2C(=O)NC3=O)F)C4=NNC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCC23C=C(C=CC2C(=O)NC3=O)F)C4=NNC5=CC=CC=C54

InChI

InChI=1S/C21H22FN5O2/c22-14-5-6-16-19(28)23-20(29)21(16,13-14)7-8-26-9-11-27(12-10-26)18-15-3-1-2-4-17(15)24-25-18/h1-6,13,16H,7-12H2,(H,24,25)(H,23,28,29)