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

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(4-phenylpiperazin-1-yl)azepan-2-one Openeye Name: 1-[(2,4-difluorophenyl)methyl]-5-(4-phenylpiperazin-1-yl)azepan-2-one CAS Name: 1-[(2,4-difluorophenyl)methyl]-5-(4-phenyl-1-piperazinyl)-2-azepanone IUPAC Name: 1-[(2,4-difluorophenyl)methyl]-5-(4-phenylpiperazin-1-yl)azepan-2-one Traditional Name: 1-(2,4-difluorobenzyl)-5-(4-phenylpiperazino)azepan-2-one Formula: C23H27F2N3O MolecularWeight: 399.476786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CC(=O)N(CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C23H27F2N3O/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/h1-7,16,21H,8-15,17H2