5-[4-[3,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]carbonyl-2-cyclohexyl-isoindole-1,3-dione

Systemtic Name: 5-[4-[3,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]carbonyl-2-cyclohexyl-isoindole-1,3-dione Openeye Name: 2-cyclohexyl-5-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-cyclohexyl-5-[[4-[(3,4-difluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-cyclohexyl-5-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-cyclohexyl-5-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C26H25F2N3O4 MolecularWeight: 481.491206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C(=O)C5=CC(=C(C=C5)F)F

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C(=O)C5=CC(=C(C=C5)F)F

InChI

InChI=1S/C26H25F2N3O4/c27-21-9-7-17(15-22(21)28)24(33)30-12-10-29(11-13-30)23(32)16-6-8-19-20(14-16)26(35)31(25(19)34)18-4-2-1-3-5-18/h6-9,14-15,18H,1-5,10-13H2