2-[5-[4-(5-fluoranyl-2-propan-2-yloxy-phenyl)piperazin-1-yl]pentyl]-5,6-bis(oxidanyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-[5-[4-(5-fluoranyl-2-propan-2-yloxy-phenyl)piperazin-1-yl]pentyl]-5,6-bis(oxidanyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-[5-[4-(5-fluoro-2-isopropoxy-phenyl)piperazin-1-yl]pentyl]-5,6-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-[5-[4-(5-fluoro-2-propan-2-yloxyphenyl)-1-piperazinyl]pentyl]-5,6-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-[5-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]pentyl]-5,6-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-[5-[4-(5-fluoro-2-isopropoxy-phenyl)piperazino]pentyl]-5,6-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C26H38FN3O5 MolecularWeight: 491.595423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)F)N2CCN(CC2)CCCCCN3C(=O)C4CC(C(CC4C3=O)O)O

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)F)N2CCN(CC2)CCCCCN3C(=O)C4CC(C(CC4C3=O)O)O

InChI

InChI=1S/C26H38FN3O5/c1-17(2)35-24-7-6-18(27)14-21(24)29-12-10-28(11-13-29)8-4-3-5-9-30-25(33)19-15-22(31)23(32)16-20(19)26(30)34/h6-7,14,17,19-20,22-23,31-32H,3-5,8-13,15-16H2,1-2H3