1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(4-octylphenoxy)ethanone

Systemtic Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(4-octylphenoxy)ethanone Openeye Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(4-octylphenoxy)ethanone CAS Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-2-(4-octylphenoxy)ethanone IUPAC Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-(4-octylphenoxy)ethanone Traditional Name: 1-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]-2-(4-octylphenoxy)ethanone Formula: C29H41FN2O2 MolecularWeight: 468.646443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)N2CC(N(CC2C)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)N2CC(N(CC2C)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C29H41FN2O2/c1-4-5-6-7-8-9-10-25-13-17-28(18-14-25)34-22-29(33)32-20-23(2)31(19-24(32)3)21-26-11-15-27(30)16-12-26/h11-18,23-24H,4-10,19-22H2,1-3H3