1-[(2S)-2-tert-butyl-4-[1-(4-chlorophenyl)butyl]piperazin-1-yl]-2-(1-ethanoylpiperidin-4-yl)ethanone

Systemtic Name: 1-[(2S)-2-tert-butyl-4-[1-(4-chlorophenyl)butyl]piperazin-1-yl]-2-(1-ethanoylpiperidin-4-yl)ethanone Openeye Name: 2-(1-acetyl-4-piperidyl)-1-[(2S)-2-tert-butyl-4-[1-(4-chlorophenyl)butyl]piperazin-1-yl]ethanone CAS Name: 2-(1-acetyl-4-piperidinyl)-1-[(2S)-2-tert-butyl-4-[1-(4-chlorophenyl)butyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[1-(4-chlorophenyl)butyl]piperazin-1-yl]ethanone Traditional Name: 2-(1-acetyl-4-piperidyl)-1-[(2S)-2-tert-butyl-4-[1-(4-chlorophenyl)butyl]piperazino]ethanone Formula: C27H42ClN3O2 MolecularWeight: 476.09428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)Cl)N2CCN(C(C2)C(C)(C)C)C(=O)CC3CCN(CC3)C(=O)C

Isomeric SMILES

CCCC(C1=CC=C(C=C1)Cl)N2CCN([C@H](C2)C(C)(C)C)C(=O)CC3CCN(CC3)C(=O)C

InChI

InChI=1S/C27H42ClN3O2/c1-6-7-24(22-8-10-23(28)11-9-22)30-16-17-31(25(19-30)27(3,4)5)26(33)18-21-12-14-29(15-13-21)20(2)32/h8-11,21,24-25H,6-7,12-19H2,1-5H3/t24?,25-/m1/s1