1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,6-dibutyl-4-methyl-phenoxy)ethanone

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,6-dibutyl-4-methyl-phenoxy)ethanone Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,6-dibutyl-4-methyl-phenoxy)ethanone CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-(2,6-dibutyl-4-methylphenoxy)ethanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,6-dibutyl-4-methylphenoxy)ethanone Traditional Name: 1-[4-(4-chlorobenzyl)piperazino]-2-(2,6-dibutyl-4-methyl-phenoxy)ethanone Formula: C28H39ClN2O2 MolecularWeight: 471.07446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)CCCC)C

Isomeric SMILES

CCCCC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)CCCC)C

InChI

InChI=1S/C28H39ClN2O2/c1-4-6-8-24-18-22(3)19-25(9-7-5-2)28(24)33-21-27(32)31-16-14-30(15-17-31)20-23-10-12-26(29)13-11-23/h10-13,18-19H,4-9,14-17,20-21H2,1-3H3