1-[2-butan-2-yl-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-(4-chloranylphenoxy)ethanone

Systemtic Name: 1-[2-butan-2-yl-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-(4-chloranylphenoxy)ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2-sec-butyl-piperazin-1-yl]ethanone CAS Name: 1-[2-butan-2-yl-4-[(4-fluorophenyl)methyl]-1-piperazinyl]-2-(4-chlorophenoxy)ethanone IUPAC Name: 1-[2-butan-2-yl-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[4-(4-fluorobenzyl)-2-sec-butyl-piperazino]ethanone Formula: C23H28ClFN2O2 MolecularWeight: 418.932023

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1CN(CCN1C(=O)COC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)F

Isomeric SMILES

CCC(C)C1CN(CCN1C(=O)COC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H28ClFN2O2/c1-3-17(2)22-15-26(14-18-4-8-20(25)9-5-18)12-13-27(22)23(28)16-29-21-10-6-19(24)7-11-21/h4-11,17,22H,3,12-16H2,1-2H3