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

Systemtic Name: 2-[2-[4-(1-decoxy-6-fluoranyl-indazol-3-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(1-decoxy-6-fluoro-indazol-3-yl)piperazin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(1-decoxy-6-fluoro-3-indazolyl)-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(1-decoxy-6-fluoroindazol-3-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(1-decoxy-6-fluoro-indazol-3-yl)piperazino]ethyl]isoindoline-1,3-quinone Formula: C31H40FN5O3 MolecularWeight: 549.679403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCON1C2=C(C=CC(=C2)F)C(=N1)N3CCN(CC3)CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCCCCCCCCON1C2=C(C=CC(=C2)F)C(=N1)N3CCN(CC3)CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C31H40FN5O3/c1-2-3-4-5-6-7-8-11-22-40-37-28-23-24(32)14-15-27(28)29(33-37)35-19-16-34(17-20-35)18-21-36-30(38)25-12-9-10-13-26(25)31(36)39/h9-10,12-15,23H,2-8,11,16-22H2,1H3