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

Systemtic Name: 2-[1-[4-(1-decoxy-6-fluoranyl-indazol-3-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[1-[4-(1-decoxy-6-fluoro-indazol-3-yl)piperazin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[1-[4-(1-decoxy-6-fluoro-3-indazolyl)-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[1-[4-(1-decoxy-6-fluoroindazol-3-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[1-[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)C(C)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCCCCCCCCON1C2=C(C=CC(=C2)F)C(=N1)N3CCN(CC3)C(C)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C31H40FN5O3/c1-3-4-5-6-7-8-9-12-21-40-37-28-22-24(32)15-16-27(28)29(33-37)35-19-17-34(18-20-35)23(2)36-30(38)25-13-10-11-14-26(25)31(36)39/h10-11,13-16,22-23H,3-9,12,17-21H2,1-2H3