1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,4-ditert-butylphenoxy)ethanone

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,4-ditert-butylphenoxy)ethanone Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,4-ditert-butylphenoxy)ethanone CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-(2,4-ditert-butylphenoxy)ethanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,4-ditert-butylphenoxy)ethanone Traditional Name: 1-[4-(4-chlorobenzyl)piperazino]-2-(2,4-ditert-butylphenoxy)ethanone Formula: C27H37ClN2O2 MolecularWeight: 457.04788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C(C)(C)C

InChI

InChI=1S/C27H37ClN2O2/c1-26(2,3)21-9-12-24(23(17-21)27(4,5)6)32-19-25(31)30-15-13-29(14-16-30)18-20-7-10-22(28)11-8-20/h7-12,17H,13-16,18-19H2,1-6H3