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

Systemtic Name: 2-[2,4-di(pentan-2-yl)phenoxy]-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]ethanone Openeye Name: 2-[2,4-bis(1-methylbutyl)phenoxy]-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]ethanone CAS Name: 2-[2,4-di(pentan-2-yl)phenoxy]-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]ethanone IUPAC Name: 2-[2,4-di(pentan-2-yl)phenoxy]-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone Traditional Name: 2-[2,4-bis(1-methylbutyl)phenoxy]-1-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]ethanone Formula: C31H45FN2O2 MolecularWeight: 496.699603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45FN2O2/c1-7-9-22(3)27-13-16-30(29(17-27)23(4)10-8-2)36-21-31(35)34-19-24(5)33(18-25(34)6)20-26-11-14-28(32)15-12-26/h11-17,22-25H,7-10,18-21H2,1-6H3