1-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(4-cyclohexylpiperazin-1-yl)azepan-2-one

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(4-cyclohexylpiperazin-1-yl)azepan-2-one Openeye Name: 5-(4-cyclohexylpiperazin-1-yl)-1-[(2,4-difluorophenyl)methyl]azepan-2-one CAS Name: 5-(4-cyclohexyl-1-piperazinyl)-1-[(2,4-difluorophenyl)methyl]-2-azepanone IUPAC Name: 5-(4-cyclohexylpiperazin-1-yl)-1-[(2,4-difluorophenyl)methyl]azepan-2-one Traditional Name: 5-(4-cyclohexylpiperazino)-1-(2,4-difluorobenzyl)azepan-2-one Formula: C23H33F2N3O MolecularWeight: 405.524426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3CCC(=O)N(CC3)CC4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3CCC(=O)N(CC3)CC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C23H33F2N3O/c24-19-7-6-18(22(25)16-19)17-28-11-10-21(8-9-23(28)29)27-14-12-26(13-15-27)20-4-2-1-3-5-20/h6-7,16,20-21H,1-5,8-15,17H2